SuperPro® Designer User’s Manual

Shawna Berg

Greg Brobst

Josh Edmonds

Allison McGuire

Robyn Menard

Bryan Tracy

Table of Contents List of Figures.......................................................................................................................3 List of Tables ........................................................................................................................5 0.0 Introduction....................................................................................................................6 1.0 Creating a Design Simulation .......................................................................................6 1.1 Opening SuperPro® Designer .....................................................................................................................6 2.0 Specify Mode of Operation ...........................................................................................7 3.0 Set Default Physical Units .............................................................................................9 4.0 Register Components and Mixtures.............................................................................11 4.1 Register Pure Components ..........................................................................................................................11

4.1.1 Registering Pure Components in Database ................................................................................11 4.1.2 Adding Pure Components not offered in Database ....................................................................13

4.1.2A Introducing a new component into current design ....................................................14 4.1.2B Introducing a new component permanently into Pure Components Database ..........16

4.1.3 Editing Physical Properties of Pure Components.......................................................................16 4.1.4 Adding Physical Properties of Pure Components.......................................................................18

4.2 Defining Special Components .....................................................................................................................25 4.3 Register Stock Mixtures ..............................................................................................................................26

4.3.1 Registering Stock Mixtures in Database ....................................................................................26 4.3.2 Adding Stock Mixtures not offered in Database ........................................................................27

4.3.2A Introducing a new stock mixtures into current design...............................................28 4.3.2B Introducing a new stock mixtures permanently in Stock Mixtures Database............28

4.3.3 Editing Physical Properties of Stock Mixtures...........................................................................29 5.0 Add Unit Procedures .....................................................................................................31 5.1 Editing the Procedure Data..........................................................................................................................42 5.2 Editing the Equipment Data ........................................................................................................................44 5.3 Set Breakpoints............................................................................................................................................48 5.4 Physical Characteristics...............................................................................................................................53

5.4.1 Changing the Color of the Unit Procedure .................................................................................55 5.4.2 Editing the Tag Properties..........................................................................................................56

5.4.2A Changing the Tag Label ............................................................................................56 5.4.2B Editing the Tag Text Style.........................................................................................56 5.4.2C Editing the Appearance of the Tag Frame.................................................................57 5.4.2D Picking Up and Applying an Icon Style....................................................................59

6.0 Adding Streams..............................................................................................................60 6.1 – Types of Streams ......................................................................................................................................60 6.2 – Drawing Streams ......................................................................................................................................62

6.2.1 – Drawing Input Streams............................................................................................................62 6.2.2 – Drawing Output Streams .........................................................................................................63 6.2.3 – Drawing Intermediate Streams................................................................................................64

6.3 – Viewing and Editing Stream Properties of a Bulk Stream .......................................................................64 6.3.1 – Specifying Stream Components of a Bulk Input Stream (Components, Etc. Tab)..................66 6.3.2 – Editing the Composition of a Bulk Input Stream (Composition, Etc. Tab).............................67 6.3.3 – The Composition, Etc. Tab for an Intermediate or Output Bulk Stream.................................69 6.3.4 – Setting Units (Composition, Etc. Tab) ....................................................................................70 6.3.5 – Setting the Density Value (Density Tab).................................................................................71 6.3.6 – Viewing the Environmental Properties ...................................................................................73 6.3.7 – Adding Comments...................................................................................................................74

6.4 – Viewing and Editing Stream Properties of a Discrete Stream..................................................................74 6.4.1 – Setting the Description of the Entity for a Discrete Input Stream (Entity Tab) ......................76 6.4.2 – Setting the Flow of the Entity for a Discrete Input Stream (Entity Tab).................................77 6.4.3 – The Entity Tab for an Intermediate or Output Discrete Stream ..............................................77

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6.4.4 – Specifying Stream Components of a Discrete Input Stream (Components, Etc. Tab) ............78 6.4.5 – Editing the Composition of a Discrete Input Stream (Composition, Etc. Tab) .......................79 6.4.6 – The Composition, Etc. Tab for an Intermediate or Output Discrete Stream ...........................81 6.4.7 – Setting the Density Value (Density Tab).................................................................................82

6.5 – Physical Characteristics............................................................................................................................84 6.5.1 – Changing the Color, Style, and Thickness of the Stream........................................................86 6.5.2 – Editing the Tag Properties.......................................................................................................87

6.5.2A – Changing the Tag Name.........................................................................................87 6.5.2B – Editing the Tag Text Style......................................................................................88 6.5.2C – Editing the Appearance of the Tag Frame..............................................................89 6.5.2D – Editing the Location of the Stream Tag .................................................................89

6.5.2E – Picking Up and Applying a Stream Style ...............................................................90 7.0 Specify Operations .........................................................................................................92 7.1 Adding/Removing Operations.....................................................................................................................92 7.2 Renaming Operations ..................................................................................................................................96 7.3 Operation Data ............................................................................................................................................97 8.0 Schedule Process ............................................................................................................101 8.1 Specification of Setup Time ........................................................................................................................102

8.1.1 User Specified ............................................................................................................................103 8.1.2 Simulation Specified ..................................................................................................................103 8.1.3 Master-Slave Relationship .........................................................................................................103

8.2 Scheduling Relationships ............................................................................................................................107 8.2.1 Using the “Beginning of the Batch” Relationship......................................................................109 8.2.2 Using the “Previous Operation in the Same Procedure” Relationship .......................................110 8.2.3 Using the “Another Operation in the Same Procedure” Relationship ........................................110 8.2.4 Using the “Another Operation in Another Procedure” Relationship..........................................111

8.3 Process Schedule Information .....................................................................................................................113 8.4 Accessing Gantt Charts ...............................................................................................................................114 9.0 Specify Labor Requirements ........................................................................................115 10.0 Perform Economic Evaluation....................................................................................120 10.1 Specifying Component Costs ....................................................................................................................121 10.2 Stream Costs..............................................................................................................................................123

10.2.1 Product Stream Specification ...................................................................................................123 10.2.2 Output Stream Classification....................................................................................................124 10.2.3 Input Stream Classification ......................................................................................................126

10.3 Equipment Costs........................................................................................................................................127 10.4 Labor & Utility Costs ................................................................................................................................128 10.5 Economic Evaluation Reports ...................................................................................................................129 11.0 Perform Emissions and Environmental Impact Assessment ...................................133 11.1 Defining Pollutant Category for Registered Components and Mixtures ...................................................133

11.1.1 Defining Emissions Pollutant Categories.................................................................................134 11.1.1A User-Defined Emissions Pollutant Categories ........................................................145

11.1.2 Defining Environmental Pollutant Categories..........................................................................146 11.2 Generation of Emissions and Environmental Impact Reports ...................................................................148

11.2.1 Generation of Emissions Report (EMS)...................................................................................149 11.2.2 Generation of Environmental Impact Report (EIR) .................................................................149

11.3 Viewing an Emissions and Environmental Impact Report ........................................................................150 11.4 Interpreting an Emissions and Environmental Impact Report ...................................................................152

11.4.1 Interpreting an Emissions Report .............................................................................................152 11.4.2 Interpreting an Environmental Impact Report..........................................................................153

Glossary.............................................................................................................................................................156 Index..................................................................................................................................................................163

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List of Figures Figure 1.1: Specifying Mode of Operation for Plant .............................................................7 Figure 2.1: Changing Mode of Operation within New Flowsheet.........................................8 Figure 3.1: Accessing Physical Units Options.......................................................................9 Figure 3.2: Setting Default Physical Units ..........................................................................10 Figure 4.1: Accessing the Pure Components Database .......................................................12 Figure 4.2: Registering pure components available in database..........................................13 Figure 4.3: Registering pure components not available in database....................................14 Figure 4.4: New Component Registration ...........................................................................15 Figure 4.5: Editing Properties of Pure Components ............................................................16 Figure 4.6: Properties of Pure Components.........................................................................17 Figure 4.7: Registering Stock Mixtures ...............................................................................27 Figure 4.8: Registering a Stock Mixture Not in Database ...................................................28 Figure 5.1: Adding a Unit Procedure.....................................................................................40 Figure 5.2: A Vessel Procedure in a Fermentor.....................................................................40 Figure 5.3: Reversing the Flow Direction of a Unit Procedure .............................................41 Figure 5.4: A Procedure Flowing Right-to-Left ....................................................................42 Figure 5.5: Accessing the Procedure Data Window ..............................................................42 Figure 5.6: The Procedure Data Window for a Batch Process ..............................................43 Figure 5.7: Accessing the Equipment Data Window.............................................................44 Figure 5.8: The Equipment Data Window.............................................................................45 Figure 5.9: Choosing the Equipment for a Unit Operation....................................................46 Figure 5.10: Accessing the Breakpoints Window..................................................................48 Figure 5.11: The Breakpoints Window..................................................................................49 Figure 5.12: The Breakpoint Window with Automatic Material Pull-In...............................50 Figure 5.13: Breakpoint Window with Automatic Push-Out ................................................51 Figure 5.14: The Different Breakpoint Settings ....................................................................52 Figure 5.15: The Breakpoints Sub-menu ...............................................................................53 Figure 5.16: Accessing the Unit Procedure Icon Style Window ...........................................54 Figure 5.17: The Unit Procedure Icon Style Window ...........................................................54 Figure 5.18: Changing the Color of a Unit Procedure Icon...................................................55 Figure 5.19: The Edit Procedure Labels Window .................................................................56 Figure 5.20: The Name Tag: Text Window...........................................................................57 Figure 5.21: The Name Tag: Frame Window........................................................................58 Figure 5.22: Picking Up a Unit Procedure Icon Style ...........................................................59 Figure 5.23: Applying a Unit Procedure Icon Style ..............................................................60 Figure 6.1: Appearance of Bulk and Discrete Streams.........................................................61 Figure 6.2: Different Types of Process Streams ..................................................................61 Figure 6.3: Location of the Connect Mode Button ..............................................................62 Figure 6.4: Input Ports .........................................................................................................63 Figure 6.5: Output Ports.......................................................................................................63 Figure 6.6: How to Reach the Properties Window for a Stream .........................................65 Figure 6.7: Bulk Stream Properties Window.......................................................................65 Figure 6.8: Steps Taken to Register a Pure Component or Stock Mixture to a Bulk Stream ................................................................................................................67

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Figure 6.9: Steps Taken to Input Ingredient Flows..............................................................68 Figure 6.10: Steps Taken to Set the Mass Composition and Total Flowrate of a Bulk Input Stream....................................................................................................69 Figure 6.11: The Composition, Etc. Tab for Intermediate and Output Streams..................70 Figure 6.12: How to Change Units in SuperPro® ...............................................................71 Figure 6.13: Setting a Known Mixture Density for a Bulk Stream .....................................72 Figure 6.14: Setting the Density Based on Ingredient or Component Contributions ..........73 Figure 6.15: The Environmental Properties Tab for a Bulk Stream....................................74 Figure 6.16: How to Reach the Stream Properties Window for a Discrete Input Stream ...75 Figure 6.17: Properties Window for a Discrete Input Stream .............................................75 Figure 6.18: Setting the Description of a Discrete Input Stream.........................................76 Figure 6.19: How to Edit the Flow of a Discrete Input Stream ...........................................77 Figure 6.20: The Entity Tab for Intermediate and Output Discrete Streams.......................78 Figure 6.21: Adding Components to a Discrete Input Stream.............................................79 Figure 6.22: Setting the Composition of a Discrete Input Stream Using Ingredient Flows 80 Figure 6.23: Steps Taken to Set the Mass Composition and Total Flowrate of a Discrete Input Stream....................................................................................................81 Figure 6.24: The Composition, Etc. Tab for Intermediate and Output Discrete Streams....82 Figure 6.25: Setting a Known Mixture Density...................................................................83 Figure 6.26: Setting the Density Based on Ingredient or Component Contributions for a Discrete Stream................................................................................................84 Figure 6.27: How to Reach the Stream Style Window........................................................85 Figure 6.28: The Stream Style Window ..............................................................................85 Figure 6.29: The Colors Window ........................................................................................86 Figure 6.30: How to Reach the Edit Tag Window...............................................................87 Figure 6.31: The Edit Tag Name Window...........................................................................87 Figure 6.32: The Name Tag: Text Window.........................................................................88 Figure 6.33: The Name Tag: Frame Window......................................................................89 Figure 6.34: The Name Tag: Location Window.................................................................90 Figure 6.35: How to Pickup a Stream Style.........................................................................91 Figure 6.36: How to Apply a Stream Style..........................................................................91 Figure 7.1: Unit Procedure Menu ........................................................................................92 Figure 7.2: Operation Interface............................................................................................93 Figure 7.3: >>Add>>Function.............................................................................................94 Figure 7.4: Result of>>Add>>Function ..............................................................................95 Figure 7.5: >>Insert>>Function...........................................................................................96 Figure 7.6: Renaming an Operation.....................................................................................97 Figure 7.7: Accessing Operation Data Interface..................................................................98 Figure 7.8: Operation Data Interface ...................................................................................99 Figure 7.9: Accessing Help Menu .....................................................................................100 Figure 8.1: Accessing the Properties Window of a Unit Operation ..................................101 Figure 8.2: Operation Duration Conditions .......................................................................102 Figure 8.3: Operation Duration: Master-Slave Relationship .............................................104 Figure 8.4: Master-Slave Relationship – Master Procedure Setup ....................................105 Figure 8.5: Master-Slave Relationship – Master Single Operation Setup .........................106 Figure 8.6: Master-Slave Relationship – Master Sequence Operation Setup....................107

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Figure 8.7: Scheduling Overview Screen ..........................................................................108 Figure 8.8: Scheduling Overview Screen – Start Time Information .................................109 Figure 8.9: Start Time Relationship – Relative to Another Operation in this Procedure ..111 Figure 8.10: Start Time Relationship – Relative to Another Operation in Another Procedure ............................................................................................................................112 Figure 8.11: Recipe Scheduling Information Command Screen .......................................113 Figure 8.12: Recipe Scheduling Information Data ............................................................114 Figure 8.13: The Gantt Charts Menu .................................................................................115 Figure 9.1: Operation Data Command Screen...................................................................116 Figure 9.2: Operation Conditions Main Screen .................................................................117 Figure 9.3: Operation Operator Specifications ..................................................................118 Figure 9.4: Operation Labor Units Specification...............................................................119 Figure 9.5: Operation Add/Delete Labor ...........................................................................120 Figure 10.1: Component Registration Interface.................................................................121 Figure 10.2: Component Economic Properties Interface...................................................122 Figure 10.3: Stream Specifications Command Interface ...................................................123 Figure 10.4: Revenue, Raw Material, and Waste Streams Specification Interface ...........124 Figure 10.5: Specifying Output Stream Classifications.....................................................125 Figure 10.6: Specifying Input Stream Classifications .......................................................126 Figure 10.7: Equipment Data Specification Command .....................................................127 Figure 10.8: Equipment Purchase Cost Information..........................................................128 Figure 10.9: Labor Tab for Operation Conditions Interface..............................................129 Figure 10.10: Performing Economic Calculations Interface .............................................130 Figure 10.11: Generating Economic Report Interface.......................................................131 Figure 10.12: Saving EER Interface ..................................................................................131 Figure 10.13: View Economic Evaluation Report Command Screen ...............................132 Figure 11.1: Selecting the component or stock mixture for registering emissions and

environmental classifications........................................................................133 Figure 11.2: Pollutant Categories Window........................................................................134 Figure 11.3: Selection of VOC and Acid gas for emissions consideration .......................144 Figure 11.4: Accessing the Emission Limits Window.......................................................145 Figure 11.5: Adding User-Defined Pollutant Categories...................................................146 Figure 11.6: Selection of hazard and waste considerations ...............................................148 Figure 11.7: Selection steps for generating an emissions report .......................................149 Figure 11.8: Selection steps for generating an environmental impact report ....................150 Figure 11.9: Selection steps for viewing an emissions report ...........................................151 Figure 11.10: Illustration of a stream section from an emissions report ...........................152 Figure 11.11: Illustrates the per batch portion of the emissions report .............................153

List of Tables Table 5.1: Unit Operations Available in Unit Procedures ....................................................31 Table 11.1: Pollutant Categories...........................................................................................135

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0.0 Introduction The following user’s manual is formatted for easy use by both SuperPro® masters and those with no prior simulation experience. If you have no previous experience with SuperPro®, read the manual chronologically to ensure that the proper functions are performed in the correct order. For users familiar with the SuperPro® simulation package, this manual can be navigated through easily by the use of the table of contents and index. This particular manual targets a pharmaceutical audience and may leave out information concerning the software that does not pertain to this industry. Note: Keywords underlined in blue font are hyperlinked to the glossary to allow the user to gather additional information, if needed, about a particular term.

1.0 Creating a Design Simulation This section of the user’s manual will list the steps needed to create a basic simulation using the SuperPro® Designer package. More detailed information about the different functions of SuperPro® can be found in future sections. The following are the basic steps that need to be taken to create a new design case in SuperPro®. Basic Steps to Creating a Design Case:

1) Specify Mode of Operation 2) Set Default Physical Units 3) Register Components and Mixtures 4) Add Unit Procedures 5) Add Input and Output Streams 6) Specify Operations 7) Schedule Process 8) Specify Labor Requirements 9) Perform Cost Analysis 10) Perform Environmental Impact Assessment

In order to perform these basic functions, the user must first be able to open the program to a blank flowsheet. Section 1.1 will discuss opening SuperPro® Designer.

1.1 Opening SuperPro® Designer SuperPro® Designer can be opened by selecting the Shortcut Icon available on your desktop, or through the Start menu of your computer. Once the program is selected, a new flowsheet can be opened by selecting:

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File>>New

After selecting New and before the simulation will open a new flowsheet, the user must define whether the process is batch or continuous. After choosing to start a new flowsheet by selecting File and New, the following interface, Figure 1.1, will appear.

Figure 1.1: Specifying Mode of Operation for Plant

The user must choose a primary mode of operation and annual operating time for the design before the remainder of the designing process can take place. The following section will discuss the two possible selections for mode of operation in SuperPro®.

2.0 Specify Mode of Operation SuperPro® allows the user to model processes as one of the following:

• Batch •

o Scheduling information is required

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o Plant batch time is calculated o Stream flows are displayed on a per-batch basis o Inherently continuous processing steps can be included as unit operations

in either continuous or semi-continuous mode

• Continuous •

o Scheduling information is not required o Plant batch time is not calculated o Stream flows are displayed on a per-hour basis o Inherently batch processing steps can be included if user specifies

processing time and turnaround time for these steps

• Mixed Mode

• o Allows user to have continuous and batch procedures in one design

To utilize the mixed mode option, simply choose the mode of operation that is prominently used in the design (either batch or continuous) and denote specific operations as continuous or batch by the scheduling options. (See Section 8.0) When SuperPro® is opened the user is prompted to specify the mode of operation before a new flowsheet is opened (see Section 1.1). Once a new flowsheet is opened, the mode of operation can be changed by selecting:

Tasks>>Set Mode of Operation

Figure 2.1 depicts the necessary actions to set the mode of operation.

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Figure 2.1: Changing Mode of Operation within New Flowsheet

Once selected, the interface shown above in Figure 1.1 will appear and can be used to set the mode of operation needed for your process. Note: Though the program allows the user to change the mode of operation during and after the design process, making a change late in the design will require the user to revise earlier steps. It is suggested that the user finalize the mode of operation before adding unit operations and procedures and as early in the design process as possible.

3.0 Set Default Physical Units SuperPro® allows the user to define what units of measure will be used for the physical properties needed for inputting and generating data. To edit the default physical units, the user should click the right mouse button and select:

Preferences>>Physical Units Options The steps taken to edit the default physical units are depicted below in Figure 3.1.

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Figure 3.1: Accessing Physical Units Options

After selecting Physical Units Options, the following interface, as shown in Figure 3.2, will appear.

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Figure 3.2: Setting Default Physical Units

The default settings for physical units can be changed by using the button and scrolling through the unit options. The following units are available for the above categories: Time in: yr, mo, s, min, h, day, wk Mass in: lbmol, mol, kmol, lb, MT, ton, oz (troy), oz (avdp), g, kg Volume in: yd3, L, Mgal, Kgal, gal, ft3, m3 Composition in: ppb, ppm, [0…1] Concentration in: lbmol/gal, kmol/L, micro-mol/L, mmol/L, mol/L, micro-g/L, mg/L,

g/cm3, g/L Density in: g/cm3, g/L Temperature in: deg R, deg K, deg F, °C Pressure in: inH2O, inHg, cmH2O, mmHg, psi, atm, bar, Pa Note: Though a physical property may be assigned default units, the units can be changed within streams and operations during the process. In other words, choose

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default physical units that are most often used in your process or that you want for your generated data, but understand that these units are not binding for all operations.

4.0 Register Components and Mixtures Before SuperPro® will recognize the components and mixtures in a process the user must register them in the design case. Components and mixtures can be taken from the multiple component databases provided by the program or from user-defined components. The following sections will discuss the SuperPro® Components and Mixtures databases available to users as well as the steps needed to register pure components and mixtures for a given process.

4.1 Register Pure Components There are two options when registering Error! Reference source not found.

a) Registering pure components in database (Section 4.1.1) b) Adding pure components not offered in database (Section 4.1.2)

The following sections will discuss the process needed to register both categories of pure components.

4.1.1 Registering pure components in database

In order for SuperPro® to recognize the components within a process, each component must be registered in the simulation database. The simulation program is equipped with a database of commonly used pure components. Using the Pull-In - allows the user to take in a material without directly knowing the amount of material needed

Pull-Out - allows the user to take out a material without directly knowing the amount of material needed

Pure Components Database , the user can register the components recognized by SuperPro® that are utilized in their process. To access the Pure Components Database, select:

Tasks>>Register Components & Mixtures>>Pure Components

Figure 4.1 depicts the necessary actions to access the Pure Components Database.

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Figure 4.1: Accessing the Pure Components Database

Once in the Pure Components Database, shown in Figure 4.1, components can be registered by selecting the appropriate component and instructing SuperPro® to register the component. To register pure components available in database:

1) Select chemical needed for the simulation by either: a. Typing name of chemical in entry box b. Scrolling up/down in Pure Component Database and selecting a chemical

2) Click the Register button

Figure 4.2 depicts the necessary actions to register pure components available in the database.

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Figure 4.2: Registering pure components available in database

Once Register is chosen, the registered component will appear in the Registered Pure Components section, located on the right side of Figure 4.2. Note: The Pure Components Database can be altered at any point in the simulation process. It is not necessary to register all components that will appear in the flowsheet at one time, but it is recommended that users form the habit of registering components early in the simulation process to prevent from having to return to the Pure Components Database multiple times. The physical constants for the components in the Pure Components Database are already defined within the database. Unless specified by the program, no additional physical constants need to be added to these pure components, but can be modified for a specific design case. Physical properties can only be edited for registered components.

4.1.2 Adding pure components not offered in database The user has two options when introducing a new component not offered in the database:

• Introduce a new component in database temporarily for this design case only

• Introduce a new component in the database permanently to be available in future design cases

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If the user is uncertain of the properties of a pure component, the best option may be to add the new component temporarily. If new accurate information is found later in the design process, the new component can be inserted into the database permanently.

4.1.2A Introducing a new component into current design Registering pure components not available in the database requires different actions than described above. Once the user reaches the Pure Components Database, as depicted in Figure 4.2, the new components need to be added. To register pure components not available in database select:

New

Figure 4.3 visually depicts the necessary actions to register pure components not available in the database.

Figure 4.3: Registering pure components not available in database

After selecting New, the following interface, as shown in Figure 4.4, will appear.

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Figure 4.4: New Component Registration

The new component needs to be specified in one of four ways:

1) Name: can include up to 31 characters 2) Chemical Abstract Service (CAS Number 3) ): can include up to 15 characters 4) Trade Name: can include up to 31 characters 5) Local Name: can include up to 15 characters; abbreviations of component names

recognized by your company

Note: SuperPro® will not allow more than one component to have the same local name. Once a name is denoted for a component, this field cannot be edited without removing the component completely and introducing it again. SuperPro® automatically denotes the property values based on a default component. This component can be chosen by using the drop-down menu for Source for Default Property Values, as can be seen in Figure 4.4. Note: SuperPro® requires that a default component be chosen to add a new component, but these properties can be manually changed after the component is added. Once the user is certain the component name is inserted correctly and a default component is chosen, select OK. The new component will appear in the Registered Pure Components list with the registered components from the Pure Components Database. The properties of this component are set by a default component. The

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property values of the new component can be changed by the procedure described in Section 4.2, Editing Physical Properties of Pure Components. Note: Remember that any property not defined by the user is automatically set as the corresponding property of the default component.

4.1.2B Introducing a new component permanently into Pure Component Database Within the Component Registration Interface (see Figure 4.3)

1) Click on the number associated with that component, highlighting the row 2) Select Deposit

Note: If the component already exists in the Pure Components Database, the program will ask for confirmation that the properties of the component are to be updated. Once confirmation is made, the new component will be added to the Pure Components Database to be used for future design cases.

4.1.3 Editing Physical Properties of Pure Components

1) Locate pure component in registration table 2) Click on the number associated with that component, highlighting the row 3) Click on Properties

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Figure 4.5: Editing Properties of Pure Components

After selecting the Properties option, an interface presenting the ID portion of the components properties will appear. Within the properties function are the following categories:

• ID • Physical (Constant) • Physical (T-dependent) • Aqueous • Economics • Pollutant Categories

These categories can be chosen by clicking on the tabs located on the top of the interface. For example, if the Physical (Constant) tab is chosen, the following interface, as shown in Figure 4.6, will appear on the screen.

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Figure 4.6: Properties of Pure Components

Because these pure components were registered from the Pure Components Database, most, if not all, of their physical properties are included. These properties are set as a default within the simulation program, but can be changed for a particular process. Pure Components added by the user, as described in Section 4.1.2, will require the user to manually add the physical properties of the component. A further discussion on components properties can be found in the following section, Section 4.1.4.

4.1.4 Adding Physical Properties of Pure Components Certain fundamental properties need to be defined in order for the simulation program to calculate other properties. Most of the pure components available in the Pure Component Database have defined properties provided by the simulation package, though these can be changed by the user. Pure Components added by the user, as described in Section 4.1.2, will require the user to manually add the physical properties of the component. Within the properties function, see Figure 4.6, are the following categories:

• ID • Physical (Constant) • Physical (T-dependent)

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• Aqueous • Economics • Pollutant Categories

Note: All of the above mentioned categories are not necessary for all calculations. However, it is important to recall which properties are defined and which are denoted by the default component. It is important to provide accurate values for as many properties as possible to prevent having to define these properties later and from generating errors in the simulation data. The following sections will discuss in further detail the properties included in the above mentioned categories as well as the operations where these properties are utilized. The user should take note which properties are necessary for particular operations, to ensure that this property data is accurate.

ID • Name This is the formal name of the pure component, either supplied by the simulation program when the database was developed or by the user when a new component was introduced. The Name portion of the ID cannot be changed once the pure component is introduced. The Name can consist of up to 31 characters. • Trade Name The Trade Name may or may not be different from the Name of the pure component. The Trade Name is the name widely known in the market or industry. This name was either supplied by the simulation program when the database was developed or by the user when a new component was introduced. Unlike the Name, however, the Trade Name can be changed later and must be unique. The Trade Name can consist of up to 31 characters. • Formula This property is the formula of the pure component. It was either supplied by the simulation program when the database was developed or by the user when a new component was introduced. The Formula can be changed later in the process and does not have to be unique. The Formula can consist of up to 31 characters. • Chemical Abstract Serial Number (CAS Number • ) The CAS Number may or may not be available for a particular component. It was either supplied by the simulation program when the database was developed or by the user when a new component was introduced. The CAS Number must be unique and can consist of up to 31 characters. • Company ID

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Companies may have their own number system for denoting certain components used in their process. This tag number is reserved primarily for this purpose. This property was defined by the user when the new component was introduced, but can be changed later. Uniqueness is not necessary for this property. The Company ID can consist of up to 31 characters.

• Is Biomass

• This property consists simply of a True/False prompt to denote whether or not the component can be treated as a biomass. This property is used to denote biomass components within all biological reactors.

Physical (Constant)

Main Properties • Molecular Weight • (g/gmol)

o Used in distillation, flash drums, condensers, absorbers, strippers, electrostatic precipitators, and all reactors

• EIR Report: Environmental Impact Report -presents information that describes the effects of the process output streams on the environment -contains a detailed tabulation of all chemicals that are regulated by the EPA or denoted as hazardous by the user

Enthalpy of Formation • (J/gmol)

o Used in energy balances • Normal Boiling Point • (°C)

o Used in distillation, flash drums, condensers, and to determine the phase of a given component

o From this information the simulation program decides whether to use the density correlation provided by the user or the ideal gas law to determine density

• Normal Freezing Point • (°C)

o Used to determine if a given component is in liquid or solid form

Critical Properties • Temperature (°C)

o Used in distillation, flash evaporation, and condensation • Pressure (bar)

o Used in distillation, flash evaporation, and condensation • Compressibility Factor

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• o Used in distillation, flash evaporation, and condensation

• Acentric Factor • (omega)

o Currently not needed for this version of the simulation program Miscellaneous

• Henry’s Constant • * 104 (atm-m3/gmol)

o Used in absorption, stripping, and VOC emission calculations • Particle Size (microns)

o Used in filters and centrifuges • Default Volumetric Coefficient

o Used to estimate the density of a stream that contains this component

Physical (T-dependent)

Density (g/L) • Used as a conversion between mass and volumetric flow rates and to

calculate the concentration of streams • Calculated by the following equation:

bTaD += , where T is in K • SuperPro® allows the user to enter values for a and b for user defined

components and to edit a and b for components available in the Pure Components Database

• For densities in the vapor phase, SuperPro® assumes the ideal gas law and calculates the density accordingly

EPA: Environmental Protection Agency

-a national organization that attempts to lead the nation’s environmental science, research, educational, and assessment efforts by:

• Developing and enforcing regulations for hazardous chemicals • Offering financial assistance to state and educational institutions for

environmental research • Performs environmental research to understand current environmental problems • Strives to further environmental education in the public arena

Evacuate -complete removal of unit procedure contents

Heat Capacity (J/gmol-K)

• Liquid/Solid Cp o Used in energy balances

• Gaseous Cp

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o Used in energy balances o Calculated by the following equation:

, where T is in K 32 dTcTabTCp ++=o SuperPro® allows the user to enter values for a, b, c, and d for

user defined components and to edit a, b, c, and d for components available in the Pure Components database

Saturation Vapor Pressure : Antoine (mmHg)

• Calculated using the following equation

, where T is in K Tc

baPi +−=log

• SuperPro® allows the user to enter values for a, b, and c for user defined components and to edit a, b, and c for components available in the Pure Components Database

Heat of Vaporization (J/gmol)

• Currently not needed for this version of the simulation program • Calculated using the following equations

c

r TT

T = , where T is in K

( )TaHv −=∆ 1 , where T is in K Watson correlation

• SuperPro® allows the user to enter values for a and b for user defined components and to edit a and b for components available in the Pure Components Database

Aqueous Used primarily for the calculation of the environmental properties of streams and for operations dealing primarily with waste treatment and pollution prevention operations.

• Diffusivity Properties o In Water *106 (cm2/s)

Used in VOC emissions calculations o In Air *103 (cm2/s)

Used in VOC emissions calculations

• Bio-Degradation Properties o Intermediate Stream

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-a stream that carries material out of a unit procedure and into a different unit procedure. Components and flowrates for an intermediate stream are usually calculated by SuperPro®. The exception is when the Pull-Out operation is used.

Kmaxo o (mg substrate/g biomass-h)

Used in biodegradation reaction rate calculations in aerobic biooxidation

Denotes the maximum biodegradation rate constant o Ks o (mg/L)

Used in biodegradation reaction rate calculations in aerobic biooxidation

Denotes the half-saturation constant

• Oxygen Ratios o o Clean-in-Place (CIP) o -used for cleaning processes using a cleaning agent

COD: Chemical Oxygen Demand o (g O/g)

Used in calculating the COD value of material streams Denotes the amount of oxygen required to chemically

oxidize 1g of the component

o ThOD: Theoretical Oxygen Demand o (g O/g)

Used to calculate the ThOD in streams Denotes the theoretical amount of oxygen needed to

oxidize 1g of the component Often equal to the COD

o BODu/COD(g/g)

Used to calculate BODu value in stream based on the COD value of each component

Denotes the ratio of the ultimate biochemical oxygen demand to the COD of the component

o BOD5/BODu o (g/g)

Used to calculate the BOD5 value in stream based on the COD value of each component

Denotes the ratio of the five-day BOD to the ultimate BOD value

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• Nitrogen Ratios o TKN: Total Kjeldahl Nitrogen o (g N/g)

Used to calculate the TKN value of the streams Denotes the Kjeldahl nitrogen contribution of the

component o NH3: Ammonia Nitrogen (g N, as NH3/g)

Used to calculate the NH3 value of the streams o NO3-NO2 : Nitrate/Nitrite Nitrogen o (g N, as NO3, NO2)/g)

Used to calculate the NO3-NO2 value of streams Denotes the NO3-NO2 contribution of the component

• Log10 (octanol/water) o Currently not needed for this version of the simulation program o Used to indicate the hydrophobicity of a component o Helps determine a component’s tendency to become sludge

• Carbon ratio o TOC: Total Organic Carbon o (g C/g)

Used to calculate the TOC values of streams Denotes the organic carbon contribution of a

component

• Phosphorus ratio o TP: Total Phosphorus o (g P/g)

Used to calculate the TP value of streams Denotes the phosphorus contribution of a component

o CaCO3 (CaCO3/g)

Used to calculate the CaCO3 value of streams Denotes the CaCO3 contribution of the component

• Solids Ratios o Solid?

User can define if component is a dissolved or suspended solid

o TS: Total Solids (g solids/g substance) Used to calculate the TS value of streams Denotes the fraction of a component that is dissolved or

present as a suspended solid o TSS/TS: Total Suspended Solids (g TSS/g TS)

Used to calculate the total TSS value of a stream based on the TSS values of the stream components

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Denotes the fraction of solid component that is suspended in solution

o VSS/TSS: Volatile Suspended Solids o (g VSS/g TSS)

Used to calculate the total VSS value of a stream based on the VSS values of the stream components

Denotes the fraction of the suspended solid component that is biodegradable

Measured as the organic fraction that oxidizes at 550±50°C that comes off as a gas

o DVSS/VSS: Degradable Volatile Suspended Solids o (g

DVSS/g VSS) Used to calculate the total DVSS value of a stream

based on the DVSS values of the stream components Denotes the fraction of the volatile suspended solid of

the component that is biodegradable o VDS/TDS: Volatile Dissolved Solids o (g VDS/g TDS)

Used to calculate the total VDS value of a stream based on the VDS values of the stream components

Denotes the fraction of the dissolved solid of a component that is volatile

o DVDS/VDS: Degradable Volatile Dissolved Solids o (g

DVDS/g VDS) Used to calculate the total DVDS value of a stream

based on the DVDS values of the stream components Denotes the fraction of the volatile dissolved solid

amount of a component that is biodegradable Economics

• Error! Reference source not found. ($/kg) o Used in economic calculations

• Selling Price • ($/kg)

o Used in economic calculations • Waste Treatment or Disposal Cost • ($/kg)

o Used to estimate waste treatment and disposal costs o If no cost is specified, the program will estimate the cost from

the contribution of the components

• Supplier o Name o Comments

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Pollutant Categories This group of properties is related mainly to classifying components within the classes of pollutants monitored by the Environmental Protection Agency (EPA).

Emissions Report • VOC

o Specific VCM TVOS EVOS HAP-VOC

o Other • Particulate

o Removal by Emission (%) o Specific

Biological Radionuclide Asbestos Cr+6 Metal Dioxin LOC HAP

o Other • Acid Gas

o HAP-Acid o Acid (Non-HAP)

• ETG o HAP-Gas o Gas (Non-HAP)

• CO • NOx • SO2 • Base

Environmental Impact Report • Is Hazardous?

o Selecting option (clicking mouse on empty box), denotes that component is hazardous

o Threshold (ppm) Specifies the concentration level that would signify an

entire stream is hazardous

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o If the presence of a hazardous component is higher than the threshold concentration, the entire stream is denoted as hazardous

• Is in the SARA 313 Report? o If selected, this component is included in the SARA-313

Chemicals section of the Environmental Impact Report (EIR) • Is in the EIR Report: Environmental Impact Report • ?

o If selected, this component is included in the 33/50 EPA Program Report and is included in the 33/50 Chemicals section of the EIR report

• Is Reported in Solid Wastes? o If selected, the component will be included in the Solid Waste

section of the EIR report and should be tracked through the solid waste streams in the design

• Is Reported in Liquid Wastes? o If selected, the component will be included in the Liquid

Wastes section of the EIR report and should be tracked through the liquid waste streams in the design

• Is Reported in Emissions? o If selected, the component will be included in the Emissions

section of the EIR report and should be tracked through all emissions streams in the design

A more extensive discussion of how to categorize pollutants can be found in the following section, Section 11.0.

4.2 Defining Special Components Once all of the simulation components are registered, special components can be defined. These components are used by SuperPro® during the simulation process. The special components include:

• Primary Biomass Component: Component defined to represent the biomass in the current simulation; associated with the portions of other components defined as intracellular

• Water Component: Component defined to represent the liquid form of water in the simulation

• Activity Reference Component: Component used to determine the total activity of a stream

If a primary biomass is formed in a reaction and both the primary biomass and water components have been specified, the simulation program will automatically adjust intracellular water amount to satisfy the biomass water content specified in registration.

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Note: The primary biomass component relates to components that have the Is option selected.

4.3 Register Stock Mixtures Similar to pure components, before SuperPro® will recognize the mixtures in a process the user must register them in the design case. Mixtures can be taken from the multiple component databases provided by the program or from user-defined components. The following sections will discuss the SuperPro® Mixtures databases available to users as well as the steps needed to register mixture for a given process. There are two options when registering Stock Mixtures

c) Registering stock mixtures in database (Section 4.6.1) d) Adding stock mixtures not offered in database

The following sections will discuss the process needed to register both categories of stock mixtures.

4.3.1 Registering Stock Mixtures in Database Similar to pure components, SuperPro® is equipped with a database of commonly used stock mixtures. Using the Stock Mixture Database, the user can register the mixtures recognized by SuperPro® that are utilized in their process. To access the Stock Mixtures Database , select:

Tasks>>Register Components & Mixtures>>Stock Mixtures Note: Refer back to Figure 4.1: Accessing the Pure Components Database to see the necessary actions to access the Stock Mixtures Database. When a stock mixture is registered, SuperPro® will automatically register the components needed to make that stock mixture.

Figure 4.7 depicts the Stock Mixture Database the process required to register a stock mixture for a particular process.

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Figure 4.7: Registering Stock Mixtures

To register a stock mixture for a particular process:

1) Select stock mixture needed for simulation by either:

• Typing name of mixture in entry box • Scrolling up/down in Stock Mixtures Database and selecting desired

mixture

2) Click the Register button

4.3.2 Adding Stock Mixtures not offered in Database The user has two options when introducing a new component in the database:

• Introduce a new mixture in database temporarily for this design case only • Introduce a new mixture in the database permanently to be available in

future design cases Note: If the user is uncertain of the properties of a stock mixture, the best option may be to add the new mixture temporarily. If new accurate information is found later in the design process, the new mixture can be inserted into the database permanently.

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4.3.2A Introducing a new stock mixture into current design Registering stock mixtures not available in the database requires different actions than described above. Once the user reaches the Stock Mixtures Database, as depicted in Figure 4.7, the new mixtures need to be added. To register stock mixtures not available in database select:

New

Figure 4.8 depicts the necessary actions to register stock mixtures not available in the database.

Figure 4.8: Registering a Stock Mixture Not in Database

4.3.2B Introducing a new stock mixtures permanently in Stock Mixtures Database Within the Stock Mixture Registration Interface (see Figure 4.10)

1) Click on the number associated with that component, highlighting the row 2) Select Deposit

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Note: If the mixture already exists in the Stock Mixture Database, the program will ask for confirmation that the properties of the mixture are to be updated. Once confirmation is made, the new mixture will be added to the Stock Mixture Database to be used for future design cases

4.3.3 Editing Physical Properties of Stock Mixtures

1) Locate stock mixture in registration table 2) Click on the number associated with that mixture, highlighting the row 3) Click on Properties

After selecting the Properties option, an interface presenting the ID portion of the components properties will appear. Within the properties function are the following categories:

• ID • Composition • Economics

These categories can be chosen by clicking on the tabs located on the top of the interface. Note: All of the above mentioned categories are not necessary for all calculations. However, it is important to recall which properties are defined and which are denoted by the default component. It is important to provide accurate values for as many properties as possible to prevent having to define these properties later and from generating errors in the simulation data. Different processes will require different properties to be specified. The following section will discuss which operations require certain properties.

ID • Name This is the formal name of the stock mixture, either supplied by the simulation program when the database was developed or by the user when a new mixture was introduced. The Name portion of the ID cannot be changed once the stock mixture is introduced. The Name can consist of up to 31 characters. • Trade Name The Trade Name may or may not be different from the Name of the stock mixture. The Trade Name is the name widely known in the market or industry. This name was either supplied by the simulation program when the database was developed or by the user when a new component was introduced. Unlike the Name, however, the Trade Name can be changed later and must be unique. The Trade Name can consist of up to 31 characters.

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• Local Name Companies may have their own number system for denoting certain mixtures used in their process. This tag number is reserved primarily for this purpose. This property was defined by the user when the new mixture was introduced, but can be changed later. Uniqueness is not necessary for this property. The Local Name can consist of up to 31 characters.

Composition

Available Ingredients Mixtures can be made up of either:

• Pure Components • Other Stock Mixtures

Ingredient Composition Can be defined as either:

• Mass • Molar

Density (g/L)

• Used as a conversion between mass and volumetric flow rates and to calculate the concentration of streams

• Calculated by the following equation: bTaD += , where T is in K

• SuperPro® allows the user to enter values for a and b for user defined components and to edit a and b for mixtures available in the Stock Mixtures database

• For densities in the vapor phase, SuperPro® assumes the ideal gas law and calculates the density accordingly

Economics

• Purchasing Price ($/kg) o Used in economic calculations o Can be set by user or calculated from components

• Supplier o Name o Comments

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5.0 Add Unit Procedures After the components in the process have been specified, it is necessary to add the Unit Procedure in the process to the simulation. A unit procedure is a piece of equipment in which a sequence of modeled unit operations takes place. However, before the unit procedures are added, it is important for the user to understand which unit procedures are capable of certain functions, or unit operations, that are needed for the particular process. Table 5.1, below, lists the unit procedures that SuperPro® offers that are useful in bioprocesses along with the unit operations available for each unit procedure.

Table 5.1: Unit Operations Available in Unit Procedures Procedure Operations Available Vessel Procedures In a Fermenter Agitate Pressurize

Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Crystallize React (Equilibrium) Evacuate React (Kinetic) Extract/Phase Shift React (Stoichiometric) Ferment (Kinetic) Steam-in-Place (SIP) Ferment (Stoichiometric) Transfer In Gas Sweep Transfer Out Heat Vaporize/Concentrate Hold Vent

In a Seed Fermenter Agitate Pressurize Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Crystallize React (Equilibrium) Evacuate React (Kinetic) Extract/Phase Shift React (Stoichiometric) Ferment (Kinetic) Steam-in-Place (SIP) Ferment (Stoichiometric) Transfer In Gas Sweep Transfer Out Heat Vaporize/Concentrate Hold Vent

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In an Air-Lift Fermenter Agitate Pressurize Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Crystallize React (Equilibrium) Evacuate React (Kinetic) Extract/Phase Shift React (Stoichiometric) Ferment (Kinetic) Steam-in-Place (SIP) Ferment (Stoichiometric) Transfer In Gas Sweep Transfer Out Heat Vaporize/Concentrate Hold Vent

Continuous Reaction Procedures Stoichiometric: In a Fermenter

Clean-in-Place (CIP) Ferment (Stoichiometric) Hold

Stoichiometric: In a Seed Fermenter

Clean-in-Place (CIP) Ferment (Stoichiometric) Hold

Stoichiometric: In an Air-Lift Fermenter

Clean-in-Place (CIP) Ferment (Stoichiometric) Hold

Kinetic: In a Fermenter Clean-in-Place (CIP) Ferment (Kinetic) Hold

Kinetic: In a Seed Fermenter Clean-in-Place (CIP) Ferment (Kinetic) Hold

Environmental: Well-Mixed Aerobic BioOxidation

Bio-oxidize* Hold

Environmental: Plug Flow Aerobic BioOxidation

Bio-oxidize* Hold

Environmental: Trickling Filtration

Bio-oxidize* Hold

Environmental: Anoxic Reaction

Bio-oxidize* Hold

Environmental: Neutralization

Hold Neutralize*

Environmental: Wet Air Oxidation

Hold Oxidize*

Environmental: Incineration Hold Incinerate*

Environmental: UV Radiation

Hold Radiate*

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Filtration Procedures Microfiltration (Batch) Charge Steam-in-Place (SIP)

Clean-in-Place (CIP) Transfer In Concentrate (Batch)* Transfer Out Hold

Microfiltration (feed and bleed)

Charge Steam-in-Place (SIP) Clean-in-Place (CIP) Transfer In Concentrate (feed & bleed)* Transfer Out Hold

Ultrafiltration (Batch) Charge Steam-in-Place (SIP) Clean-in-Place (CIP) Transfer In Concentrate (Batch)* Transfer Out Hold

Ultrafiltration (feed and bleed)

Charge Steam-in-Place (SIP) Clean-in-Place (CIP) Transfer In Concentrate (feed & bleed)* Transfer Out Hold

Reverse Osmosis (Batch) Charge Steam-in-Place (SIP) Clean-in-Place (CIP) Transfer In Concentrate (Batch)* Transfer Out Hold

Reverse Osmosis (feed and bleed)

Charge Steam-in-Place (SIP) Clean-in-Place (CIP) Transfer In Concentrate (feed & bleed)* Transfer Out Hold

Diafiltration Charge Hold Clean-in-Place (CIP) Steam-in-Place (SIP) Concentrate(Batch) Transfer In Diafilter* Transfer Out

Dead End Clean-in-Place (CIP) Filter* Hold Steam-in-Place (SIP)

Nutsche Charge Hold Clean-in-Place (CIP) Purge / Inert Cool React (Stoichiometric) Dry Cake Steam-in-Place (SIP) Filter* Transfer In Gas Sweep Transfer Out Heat Wash Cake

Plate & Frame Cake Wash Hold Clean-in-Place (CIP) Steam-in-Place (SIP) Filter* Transfer Out Gas Sweep

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Rotary Vacuum Clean-in-Place (CIP) Filter* Hold Steam-in-Place (SIP)

Air Filtration Filter* Hold Steam-in-Place (SIP)

Belt Filter* Hold

Granular Media Filter* Hold

Electrostatic Precipitation Hold Precipitate*

Centrifugation Procedures In a Decanter Centrifuge Centrifuge*

Clean-in-Place (CIP) Hold Steam-in-Place (SIP)

Disk-Stack Centrifuge* Clean-in-Place (CIP) Hold Steam-in-Place (SIP)

Bowl Centrifuge* Clean-in-Place (CIP) Hold Steam-in-Place (SIP)

Basket Charge Purge / Inert Clean-in-Place (CIP) Steam-in-Place (SIP) Filter* Transfer In Gas Sweep Transfer Out Hold Wash Cake

Centritech Centrifuge* Clean-in-Place (CIP) Hold Steam-in-Place (SIP)

Homogenization Procedures High-Pressure Clean-in-Place (CIP)

Hold Homogenize* Steam-in-Place (SIP)

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Bead Milling Clean-in-Place (CIP) Hold Homogenize* Steam-in-Place (SIP)

Chromatography/Adsorption Procedures Gel Filtration Elute* Regenerate

Equilibrate Steam-in-Place (SIP) Hold Wash* Load*

PBA Chromatography Elute* Regenerate* Equilibrate* Steam-in-Place (SIP) Hold Wash* Load*

EBA Chromatography Elute* Regenerate* Equilibrate* Steam-in-Place (SIP) Hold Wash* Load*

Ion Exchange (for Demineralization)

Hold Load* Regenerate* Wash*

Drying Procedures Freeze Charge Hold

Clean-in-Place (CIP) Steam-in-Place (SIP) Cool Transfer In Dry* Transfer Out

Extraction Procedures In a Mixer-Settler Clean-in-Place (CIP)

Extract* Hold

Differential Clean-in-Place (CIP) Extract* Hold

Centrifugal Clean-in-Place (CIP) Extract* Hold Steam-in-Place (SIP)

Phase Change Procedures Crystallization (Continuous) Clean-in-Place (CIP)

Crystallize* Hold

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Storage Procedures Batch: Blending Tank Agitate Pressurize

Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Evacuate Steam-in-Place (SIP) Extract / Phase Split Store* Gas Sweep Transfer In Heat Transfer Out Hold Vent

Batch: Flat Bottom Tank Agitate Pressurize Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Evacuate Steam-in-Place (SIP) Extract / Phase Split Store* Gas Sweep Transfer In Heat Transfer Out Hold Vent

Batch: Receiver Agitate Pressurize Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Evacuate Steam-in-Place (SIP) Extract / Phase Split Store* Gas Sweep Transfer In Heat Transfer Out Hold Vent

Batch: Horizontal Tank Agitate Pressurize Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Evacuate Steam-in-Place (SIP) Extract / Phase Split Store* Gas Sweep Transfer In Heat Transfer Out Hold Vent

Batch: Vertical On Legs Tank

Agitate Pressurize Charge Pull In Clean-in-Place (CIP) Pull Out Cool Purge / Inert Evacuate Steam-in-Place (SIP) Extract / Phase Split Store* Gas Sweep Transfer In Heat Transfer Out Hold Vent

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Batch: Silo Charge Pull Out Clean-in-Place (CIP) Store Solids* Hold Transfer In Pull In Transfer Out

Continuous: Blending Tank Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Store*

Continuous: Flat Bottom Tank

Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Store*

Continuous: Receiver Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Store*

Continuous: Horizontal Tank Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Store*

Continuous: Vertical On Legs Tank

Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Store*

Continuous: Silo Clean-in-Place (CIP) Hold Store Solids*

Continuous: Hopper Clean-in-Place (CIP) Handle Solids Flow* Hold

Heat Exchange Procedures Heating Clean-in-Place (CIP)

Heat* Hold

Electric Heating Clean-in-Place (CIP) Heat* Hold

Cooling Clean-in-Place (CIP) Cool* Hold Steam-in-Place (SIP)

Heat Exchanging Clean-in-Place (CIP) Exchange Heat* Hold Steam-in-Place (SIP)

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Heat Sterilization Clean-in-Place (CIP) Hold Sterilize*

Mixing Procedures Bulk Flow Clean-in-Place (CIP)

Hold Mix* Steam-in-Place (SIP)

Bulk Flow: Custom Clean-in-Place (CIP) Hold Mix* Steam-in-Place (SIP)

Bulk Flow: Mixture Making Clean-in-Place (CIP) Hold Mix* Steam-in-Place (SIP)

Bulk Flow: Tumble Charge Mix Solids* Clean-in-Place (CIP) Transfer In Hold Transfer Out

Discrete Flow Clean-in-Place (CIP) Hold Mix*

Splitting Procedures Bulk Flow Clean-in-Place (CIP)

Hold Steam-in-Place (SIP) Split*

Bulk Flow: Custom Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Split*

Discrete Flow Clean-in-Place (CIP) Hold Split*

Component Flow Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Split*

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Formulation and Packaging Procedures Filling Clean-in-Place (CIP)

Fill* Hold Steam-in-Place (SIP)

Tableting Clean-in-Place (CIP) Hold Steam-in-Place (SIP) Tablet*

Transport (near) Procedures Liquids: Pump Clean-in-Place (CIP)

Hold Pump Steam-in-Place (SIP)

Generic Boxes Discrete: Bulk to Discrete Clean-in-Place (CIP)

Convert to Discrete* Hold

Discrete: Discrete to Bulk Clean-in-Place (CIP) Convert to Bulk* Hold

* denotes an operation that is automatic in the unit procedure

After the necessary unit procedures have been determined, the user can add those unit procedures to the simulation. To add a unit procedure select:

Unit Procedures >> [Type of Procedure] >> [Procedure] For example, to add a Vessel Procedure in a Fermentor, select:

Unit Procedures >> Vessel Procedure >> in a Fermentor

Figure 5.1 below depicts the steps needed to add a vessel procedure in a fermentor.

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Figure 5.1: Adding a Unit Procedure

After the procedure is selected, the Add Step cursor will appear: Click on the simulation where you want the unit procedure to appear. A visual of the procedure will then appear on the flowsheet. For the example of a vessel procedure in a fermentor, the following image will appear to represent the procedure:

Figure 5.2: A Vessel Procedure in a Fermentor

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Note: To move a unit procedure after it has been added to the simulation, click on the procedure and drag it to the new location. If more than one procedure needs to be moved, select each procedure by pressing the Shift button and left-clicking. Once all procedures are highlighted (they will appear red), click and drag them to the new location. Precise movements of one pixel can be made using the arrow keys on the keyboard. Each unit procedure has a unique appearance that correlated to how the equipment would appear in reality. To add more procedures, follow the same steps until all of the procedures needed in the process are present. It is important to pay close attention to the location and orientation of each procedure when adding it to the simulation. SuperPro® will automatically add the procedure in the standard left-to-right orientation. However, it is often necessary to show the procedure flowing right-to-left. This needs to be done immediately after the procedure is added, before any streams are connected. To change the orientation of the procedure, right click on the procedure to open the menu, and select:

Flip (reverse flow direction)

Figure 5.3: Reversing the Flow Direction of a Unit Procedure

After Flip has been selected, the input and output ports will flow right-to-left, as shown in Figure 5.4.

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Figure 5.4: A Procedure Flowing Right-to-Left

After all of the necessary unit procedures are added to the simulation, the user then has the option to edit the procedure data within each unit procedure.

5.1 Editing the Procedure Data To open the Procedure Data Window, right click on the procedure and select:

Procedure Data

Figure 5.5: Accessing the Procedure Data Window

After selecting Procedure Data, the following window will appear:

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Figure 5.6: The Procedure Data Window for a Batch Process

The Scheduling tab allows the user to designate the operating mode of the procedure. There are only two fields on this tab that are editable by the user. The number of cycles per batch can be specified, and it can be told to operate in Stagger Mode. More information on scheduling can be found in Chapter 8. The other tabs in the Procedure Data window include Throughput, in which the user can choose to include the procedure in the throughput analysis, and Description, which is a blank text box that allows the user to enter comments about the procedure. Note: For a batch process, the Continuous option on the Scheduling tab is gray and cannot be selected by the user. For procedures that are running constantly during a continuous process, this option will be available.

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5.2 Editing the Equipment Data After the unit procedures are added to the simulation, it is necessary to set the equipment data in order for the simulation to accurately represent the desired procedure. To open the Equipment Data Window, right click on the procedure and select:

Equipment Data

Figure 5.7: Accessing the Equipment Data Window

After Equipment Data has been selected, the following window will appear:

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Figure 5.8: The Equipment Data Window

The categories available in the Equipment Data Window are:

• Equipment • Purchase Cost • Adjustments • Scheduling • Throughput • Comments • Allocation

Note: This section will be focusing on the Equipment tab. For information about Cost Analysis, refer to Chapter 10. For information about Scheduling, refer to Chapter 8.

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The different sections of the Equipment tab include selection, size, and description.

Selection

• SuperPro® automatically assumes that each unit procedure takes place in exclusive equipment. However, it is possible for more than one unit procedure to share equipment with another unit procedure. This is specified in the Selection section of the Equipment tab. To specify which equipment should be used for the procedure, click on the drop-down arrow to open the list of available equipment.

Figure 5.9: Choosing the Equipment for a Unit Operation

If there is more than one procedure in identical equipment, both of the procedures will appear in the drop-down menu. Select the equipment to be

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used by the procedure. To ensure that the shared equipment is being used by the other procedure, perform the same steps to choose the equipment. Note: The selection of the equipment takes place under the Select option in the Selection section of the Equipment tab. The other option, Request New is not editable by the user, due to the fact that SuperPro® automatically determines the type of equipment used based on the unit procedure. Also note that equipment can only be shared in batch processes. For a continuous process, separate equipment is required. Therefore, in a continuous process, the Select option appears gray and is not editable by the user.

Size

• The Size Section of the Equipment tab allows the user to set the equipment size or have SuperPro® perform the calculations. If the user chooses to size the equipment, the simulation is in Error! Reference source not found.. If SuperPro® is instructed to perform the calculations, the simulation is in Error! Reference source not found..

Description

• The Description section of the Equipment tab contains information about the physical aspects of the equipment. The information includes:

o o o o

Name Type Number of Units Error! Reference source not found. Error! Reference source not found. o Error! Reference source not found. o Error! Reference source not found. o

o o o o

Height Diameter Design Pressure Error! Reference source not found.

When in Design Mode, the areas that are editable by the user are: Max. Volume, Max. Allowable Working Volume/Vessel Volume Ratio, Height/Diameter Ratio, Design Pressure, and whether the vessel is an ASME Vessel. All other areas are calculated and set by SuperPro®. When in Rating Mode, the areas that are editable by the user are: Number of Units, Volume, Height/Diameter Ratio, Design Pressure, and whether the vessel is an ASME Vessel. All other areas are calculated and set by SuperPro®.

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5.3 Set Breakpoints During the simulation process, it is sometimes necessary to have SuperPro® stop at a certain unit procedure when performing the mass and energy balances. This can be done by setting Error! Reference source not found.. To access the Breakpoints window, right-click on the procedure and select:

Set Breakpoints…

Figure 5.10: Accessing the Breakpoints Window

After Set Breakpoints… is selected, the following window will appear:

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Figure 5.11: The Breakpoints Window

There are three general locations in which a breakpoint can be added:

• Upon entering the unit procedure • Before an operation in the procedure • Upon exiting the procedure

In some special cases, there are other options available. If there is an automatic material pull-in, an option will be present to insert a breakpoint after the automatic pull-in, as is show in the figure below:

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Figure 5.12: The Breakpoint Window with Automatic Material Pull-In

It is also possible to insert a breakpoint after an automatic push-out operation, as shown in the figure below:

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Figure 5.13: Breakpoint Window with Automatic Push-Out

There are three different settings that can be chosen when designating breakpoints:

• Set and Active • Set and Inactive • Cleared

To set and activate a breakpoint, click once on the box next to the operation that will follow directly after the breakpoint. When a breakpoint is set and active, it will be designated by a black check in the square. Once a breakpoint is set and active, it can be changed to set and inactive by clicking once more on the square. A set but inactive breakpoint is designated by a black check in a gray square. To remove or clear the breakpoint, click again on the box and the check will be removed. These three settings are illustrated in Figure 5.14.

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Figure 5.14: The Different Breakpoint Settings

After breakpoints have been set, a red circle with a white X appears on the simulation where the breakpoint is located. If a breakpoint is set but inactive, it appears as a gray circle with a white X. These indicators can be seen in Figure 5.15 below. The menu changes slightly after breakpoints are added to include a sub-menu for editing breakpoints. The new menu appearance is shown in the figure below:

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Figure 5.15: The Breakpoints Sub-menu

The Edit option allows the user to return to the Breakpoint Window to edit the breakpoints. The Clear All option removes all breakpoints, the Activate All option activates all of the set breakpoints, and the Deactivate All option deactivates all set breakpoints. Note: If there are no deactivated breakpoints, there will not be an Activate All option on the Breakpoints sub-menu. Likewise, if there are no activated breakpoints, there will not be a Deactivate All option on the Breakpoints sub-menu.

5.4 Physical Characteristics It is often important to adjust the physical appearance of a unit procedure or change the title from the generic number notation. This section will provide instructions on how to format the flow diagram to improve the aesthetic quality of the flowsheet. To reach the Unit Procedure Icon Style Window, right-click on the icon and select:

Style… >> Edit…

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Figure 5.16: Accessing the Unit Procedure Icon Style Window

After Edit… has been selected, the following window will appear:

Figure 5.17: The Unit Procedure Icon Style Window

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5.4.1 Changing the Color of the Unit Procedure By adding a color scheme to the simulation, the user can organize sections of the process. Different sections of the simulation can be colored to indicate different purposes within the overall simulation, such as production fermentation versus a purification procedure. To change the color of the unit procedure icon, it is first necessary to open the Unit Procedure Icon Style Window, as described above. To change the color of the icon,

1) Click on the Icon tab at the top of the Unit Procedure Icon Style Window.

Note: The Icon tab will automatically appear on top when the Unit Procedure Icon Style Window is opened.

2) Click on the Colors… button to open a separate colors window.

Figure 5.18: Changing the Color of a Unit Procedure Icon

3) Select the desired color and click OK to accept the changes.

Note: Changing the color of the unit procedure icon does not change the color of the tag under the unit procedure. This option will be shown in the next section.

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5.4.2 Editing the Tag Properties The Tag is the description that can be seen in

underneath the unit procedure icon. It is often useful to alter the tag properties for descriptive as well as aesthetic purposes.

Figure 5.2: A Vessel Procedure in a Fermentor

5.4.2A Changing the Tag Label SuperPro® uses a generic naming scheme for unit procedures based on the type of procedure and the order in which it was added to the simulation. It is possible, however, to alter the label to contain more specific information about the procedure. To access the Edit Procedure Labels Window, right-click on the procedure and select:

Edit Labels… After Edit Labels… has been selected, the following window will appear:

Figure 5.19: The Edit Procedure Labels Window

The Procedure Name and Equipment name can both hold up to 15 characters, while the Procedure Description can hold up to 31 characters. The label will appear with the Procedure Name and Equipment Name on one line, separated by a “/” delimiter, and the Procedure Description will follow on the next line:

Procedure Name / Equipment Name Procedure Description

5.4.2B Editing the Tag Text Style To edit the Tag Text Style, perform the following tasks:

1) Click on the Name Tag: Text tab at the top of the Unit Procedure Icon Style Window. For information on how to reach the Unit Procedure Icon Style window, refer to Section 5.4.1.

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2) To remove the tag completely, click on the box in front of Show Label to remove the “x”.

3) To change the font of the tag, click on the Font button to open a separate font window in which the user can select the desired font, size, and font style.

4) To change the color of the tag text, click on the Font button to open the font window and click on the drop down menu labeled Color to choose from a list of colors.

5) To change the color of the background of the tag, click on the Color button on the Name Tag: Text tab to open a separate color window in which the user can select the desired color. Note that a color can be chosen only if the text background is specified as Opaque. If the desired background is clear, choose the Transparent option. This will allow any lines behind the tag to show through.

Figure 5.20: The Name Tag: Text Window

In addition to editing the text of the tag, it is also possible to have a frame around the tag. The following section with discuss this option.

5.4.2C Editing the Appearance of the Tag Frame To access the Name Tag: Frame section of the Unit Procedures Icon Style Window:

1) Click on the Name Tag: Frame tab at the top of the Unit Procedure Icon Style Window.

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2) Click the circle in front of the style of choice. Choices include solid, dotted, dashed, dash-dot, dash-dot-dot, and invisible.

3) Click the circle in front of the thickness of choice. Note that different thicknesses are only available for solid lines. All options other than 1 pt are non-editable when a style other than solid is selected.

4) Click on the button marked Colors… to open a separate color window in which the user can select the desired color.

Figure 5.21: The Name Tag: Frame Window

Because there are so many options to customize the appearance of the unit procedure icon and tag, SuperPro® has a function that allows the user to pick up a style and apply it to another unit procedure icon and tag.

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5.4.2D Picking Up and Applying an Icon Style To pick up an icon style, right-click on the unit procedure icon and select:

Style… >> Pick up

Figure 5.22: Picking Up a Unit Procedure Icon Style

An alternate way to pickup a unit procedure icon style is to click the button on the Visual Objects Toolbar along the right side of the SuperPro® window. After a unit procedure icon style has been picked up, it is possible to apply that style to another unit procedure. To do this, right-click on the unit procedure icon and select:

Style… >> Apply

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Figure 5.23: Applying a Unit Procedure Icon Style

An alternate way to apply a unit procedure icon style is to click the button on the Visual Objects Toolbar along the right side of the SuperPro® window.

6.0 Adding Streams Streams are used in SuperPro® to transport materials into, between, and out of unit procedures. The following sections describe the different types of streams used in SuperPro®, explain how to draw streams, and describe how to edit stream properties and physical characteristics.

6.1 Types of Streams There are two distinct types of streams incorporated into the SuperPro® software package: Bulk Stream and Discrete Stream .

• Bulk streams have flow rates such as kg/h or kg/batch, where the amount of medium in the stream is apparent in the value of the flow rate.

• Discrete streams have flow rates such as vials/batch or bottles/batch, where each vial contains a particular mass or volume, making it possible to calculate the amount of medium in the stream.

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Note: It is not necessary to specify explicitly the nature of the stream. SuperPro® will automatically designate the type of stream based on which Error! Reference source not found. the stream is connected. Discrete flow is only available for five of the unit procedures that SuperPro® offers. These procedures include Flow Mixing, Flow Splitting, Generic Boxes, Grinding, and Shredding. Flow mixers and flow splitters use the same type of stream as inputs and outputs, so, for example, a discrete flow mixer will have a discrete output. Generic boxes allow the user to change a discrete stream to a bulk stream and vice versa. Discrete grinders and shredders have discrete inputs and bulk outputs. For more information on these unit operations, refer back to Section 5.0. SuperPro® distinguishes between bulk and discrete streams in three ways: the color of the stream, the appearance of the port, and the stream properties. For a bulk stream, the stream is drawn black and the input port is designated by an arrow. For a discrete stream, the stream is drawn blue and the input port is designated with a small square next to the arrow. These differences can be seen on a flow splitter shown below in Figure 6.1.

Figure 6.1: Appearance of Bulk and Discrete Streams

Note: Discrete flows are also designated as DS-101 (as opposed to S-101) and the procedure description is automatically set as “Discrete Flow Splitting” for the flow splitter using discrete flows. If an operation has a discrete flow in, it must also have a discrete flow out. In addition to the two types of streams, there are three categories of process streams: Input Stream , Intermediate Stream , and Error! Reference source not found.. These streams are highlighted below in Figure 6.2.

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Figure 6.2: Different Types of Process Streams

6.2 Drawing Streams There are two modes in which the user can draw streams, Connect Mode and Temporary Connect Mode . Connect Mode is more convenient for drawing several streams at a time.

• To enter Connect Mode, click the Connect Mode button on the main toolbar:

Figure 6.3: Location of the Connect Mode Button

When in Connect Mode, the cursor will change to the Connect Mode Cursor: Note: The simulation will remain in connect mode after you draw the stream(s). To leave connect mode and return to Select Mode , click the Arrow button next to the Connect Mode button. Temporary Connect Mode is convenient for drawing only one stream.

• To enter Temporary Connect Mode, hold down the Control (Ctrl) key on the keyboard and double-click to begin the stream. To end the stream, double-click again.

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6.2.1 Drawing Input Streams ► In Connect Mode:

1) Click once on an open area to begin drawing the stream. 2) To change the direction of the stream, click once on the open area. The stream

will bend at a 90 degree angle. Click once more to change direction again. These direction changes are called Stream Elbow

3) . 4) Click once on an input port to connect the stream to the unit operation.

Figure 6.4: Input Ports

► In Temporary Connect Mode:

1) Hold the Ctrl key and double-click on an open area to begin the stream. After beginning the stream, it is no longer necessary to hold the Ctrl key.

2) To change the direction of the stream, click once on the open area. The stream will bend at a 90 degree angle. Click once more to change direction again.

3) Click once on an input port to connect the stream to the unit operation.

6.2.2 Drawing Output Streams ► In Connect Mode:

1) Click once on an output port to begin the stream.

Figure 6.5: Output Ports

2) To change the direction of the stream, click once on an open area. The stream will bend at a 90 degree angle. Click once more to change direction again.

3) Double-click on an open area to end the stream.

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► In Temporary Connect Mode:

1) Hold the Ctrl key and double-click on an output port to begin the stream. After beginning the stream, it is no longer necessary to hold the Ctrl key.

2) To change the direction of the stream, click once on the open area. The stream will bend at a 90 degree angle. Click once more to change direction again.

3) Double-click on an open area to end the stream.

6.2.3 Drawing Intermediate Streams ► In Connect Mode:

1) Click once on an output port to begin the stream. 2) To change the direction of the stream, click once on the open area. The stream

will bend at a 90 degree angle. Click once more to change direction again. 3) Click once on an input port of another unit operation to end the stream.

► In Temporary Connect Mode:

1) Hold the Ctrl key and double-click on an output port to begin the stream. After beginning the stream, it is no longer necessary to hold the Ctrl key.

2) To change the direction of the stream, click once on the open area. The stream will bend at a 90 degree angle. Click once more to change direction again.

3) Click once on an input port of another unit operation to end the stream. Note:

• It is not necessary to draw stream elbows for intermediate streams. The stream drawn by clicking an output port and ended by clicking an input port. SuperPro® will automatically place elbows in the stream where needed. These elbows can later be edited to place the stream in the best location.

• If an elbow is placed in an undesirable location, a right click will remove the elbow.

• Connect Mode can be exited without finishing the current stream by pushing the Esc key on the keyboard. The stream being drawn will be aborted.

• A stream must be in a horizontal position in order to be connected to a port.

6.3 Viewing and Editing Stream Properties of a Bulk Stream

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The properties window for a bulk stream has four tabs: Composition, etc., Density, Env. Properties, and Comments. To access the properties window for a stream, right-click on the stream and select:

Simulation Data

Figure 6.6: How to Reach the Properties Window for a Stream

After selecting Simulation Data, the following window will appear:

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Figure 6.7: Bulk Stream Properties Window

The interface presented in the above figure can be used to specify the components and flowrates of streams. The following sections will describe these functions in further detail.

6.3.1 Specifying Stream Components of a Bulk Input Stream (Components, Etc. Tab) From the Bulk Stream Properties Window, Figure 6.7, the stream components of a bulk input stream can be specified for a particular process.

1) Begin by clicking the Composition, Etc. tab along the top of the properties window. (See Figure 6.8 below).

2) Choose either Components or Stock Mixtures based on the ingredient to be added.

3) Choose the component or stock mixture to be added in the Registered Ingredients List.

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Note: If the component or mixture to be added does not appear on the list of Registered Ingredients, refer to Section 4.1.1 on how to register components. 4) Click the >>> button to add the component or stock mixture to the stream.

Figure 6.8 below depicts the necessary actions to specify the stream components of a bulk input stream.

Figure 6.8: Steps Taken to Register a Pure Component or Stock Mixture to a Bulk Stream

Once pure components and stock mixtures are registered in the Simulation Data Interface, the user has the option to edit the composition of each component in a stream.

6.3.2 Editing the Composition of a Bulk Input Stream (Composition, Etc. Tab) There are two ways to determine the composition of the stream including:

• Setting the component flowrates

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• Setting the total flowrate and the mass composition of the stream ► To set component flowrates:

1) Select Ingredient Flows by clicking on the small circle in front of “Ingredient Flows” in the Set area below the Composition area.

2) Click on the cell in the Flowrate column to enter edit mode. 3) Input the flowrate in kg/batch for batch processes or kg/h for continuous

processes.

Figure 6.9: Steps Taken to Input Ingredient Flows

Note: When setting ingredient flows, SuperPro® will automatically calculate the total flowrate based on the ingredient flows entered. Therefore the total flowrates cannot be manually edited and the boxes appear gray. ► To set mass composition:

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1) Select Mass Composition by clicking on the small circle in front of “Mass Composition” in the Set area below the Composition area.

2) Click on the cell in the Mass Comp. column to enter edit mode. 3) Input the mass composition in percentage form (%). 4) Enter the total flowrate for the stream. This can be done in either mass flow or

volumetric flow. Click on the circle in front of the flow of choice, and the box will change to edit mode.

Figure 6.10: Steps Taken to Set the Mass Composition and Total Flowrate of a Bulk Input Stream

Note: SuperPro® will automatically calculate the ingredient flows based on the mass composition and total flowrate. Therefore the component flows cannot be manually altered while setting mass compositions.

6.3.3 The Composition, Etc. Tab for an Intermediate or Output Bulk Stream

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While the Density, Env. Properties, and Comments tabs are the same for all three types of streams, the Composition, Etc. tab is different for an input stream than for an Intermediate or Output stream. Figure 6.11 below shows the Composition, Etc. tab for Intermediate and Output streams.

Figure 6.11: The Composition, Etc. Tab for Intermediate and Output Streams

Note: The only difference between this section for Intermediate and Output Streams and that for Input Streams is the lack of the Registered Ingredients section. SuperPro® will automatically calculate the components and flows of the streams based on the inputs and unit operations and, therefore, this section does not need to be included.

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6.3.4 Setting Units (Composition, Etc. Tab)

1) To change the units of the mass, volume, composition, or concentration, click on the drop-down arrow next to the unit of choice.

2) Select the desired from the drop-down menu.

Figure 6.12: How to Change Units in SuperPro®

6.3.5 Setting the Density Value (Density Tab)

1) Click on the Density tab at the top of the stream properties window. 2) If the density of the mixture in the stream is known, this value can be inputted by

clicking the circle in front of the words “Set by User”. The box will be in edit mode after the circle is selected.

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Figure 6.13: Setting a Known Mixture Density for a Bulk Stream

3) If the density is unknown, SuperPro® can calculate the density based on the

contribution to each ingredient in the stream. 4) Click the circle in front of the word “Calculated” to access the Volumetric

Contribution Coefficients area. 5) Click the circle in front of “Ingredient 6) ” or “Component 7) ” based on the data to be inputted. If all of the ingredients are pure components,

there will be no difference between the Ingredients and Components options. 8) Click on the cell in the Coefficient column to enter edit mode. 9) Enter the desired coefficient.

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Figure 6.14: Setting the Density Based on Ingredient or Component Contributions

6.3.6 Viewing the Environmental Properties The Env. Properties tab contains information on the environmental contributions of the stream. The values are calculated based on environmental characteristics of the individual ingredients, so all of the boxes are gray and unable to be edited by the user. For more information about the environmental properties or to change the environmental characteristics of the ingredients, refer to Section 4.1.4.

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Figure 6.15: The Environmental Properties Tab for a Bulk Stream

6.3.7 Adding Comments The Comments tab has a text box that allows the user to enter any comments they may have about the stream that cannot be entered elsewhere in the stream properties window.

6.4 Viewing and Editing Stream Properties of a Discrete Stream The properties window for a discrete stream has three tabs: Entity, Composition, etc., and Density. To access the properties window for a stream, right-click on the stream and select:

Simulation Data

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Figure 6.16: How to Reach the Stream Properties Window for a Discrete Input Stream

After you have selected Simulation Data, the following window will appear:

Figure 6.17: Properties Window for a Discrete Input Stream

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6.4.1 Setting the Description of the Entity for a Discrete Input Stream (Entity Tab)

1) Click on the Entity tab to bring the window to the top. The Entity tab will automatically be on top when the properties window appears.

2) Click on the text box next to Name under the Description area to enter the name of the entity (for example, bottle or vial). If the entity is present in more than one area of the process, both entities should be given the same name.

3) To set the Bulk Conversion Factor 4) , first choose the units and click the circle next to mass or volume depending on

preference. Then click the text box next to Bulk Amount Per Entity to enter the number. Units are in g/entity or cm3/entity. If the entity is present in more than one area of the process, both entities should be given the same bulk conversion factor.

5) To set the purchasing price, click the text box next to Purchasing Price and enter the price. Units are given in $/entity.

6) To set the selling price, click on the text box next to Selling Price and enter the price. Units are given in $/entity.

Figure 6.18: Setting the Description of a Discrete Input Stream

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6.4.2 Setting the Flow of the Entity in the Input Stream (Entity Tab)

1) Click on the Entity tab to bring the window to the top. The Entity tab will automatically be on top when the properties window appears.

2) Click on the text box in the Flow area to enter the number of entities per batch.

Figure 6.19: How to Edit the Flow of a Discrete Input Stream

6.4.3 The Entity Tab for an Intermediate or Output Discrete Stream The Entity tab is different for an input stream than for an Intermediate or Output stream. Figure 6.20, below, shows the Entity tab for Intermediate and Output streams.

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Figure 6.20: The Entity Tab for Intermediate and Output Discrete Streams

Note: The only difference here is the inability to alter the description and flowrates of the entity. SuperPro® will automatically update the description and flow of the entity based on the input entity.

6.4.4 Specifying Stream Components of a Discrete Input Stream (Components, Etc. Tab)

1) Begin by clicking the Composition, Etc. tab along the top of the properties window

2) Choose either Components or Stock Mixtures based on the ingredient to be added.

3) Choose the component or stock mixture to be added in the Registered Ingredients list. If the component or mixture to be added does not appear on the list of Registered Ingredients, refer to Section 4.0 on how to register components.

4) Click the >>> button to add the component or stock mixture to the stream.

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Figure 6.21: Adding Components to a Discrete Input Stream

6.4.5 Editing the Composition of a Discrete Input Stream (Composition, Etc. Tab) There are two ways to input the composition of the stream. One is to set the component flowrates. The other is to set the total flowrate and the mass composition of the stream. ► To set component flowrates:

1) Select Ingredient Flows by clicking on the small circle in front of “Ingredient Flows” in the Set area below the Composition area.

2) Click on the cell in the Flowrate column to enter edit mode. 3) Input the flowrate in kg/batch for batch processes or kg/h for continuous

processes.

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Figure 6.22: Setting the Composition of a Discrete Input Stream Using Ingredient Flows

Note: When setting ingredient flows, SuperPro® will automatically calculate the total flowrate based on the ingredient flows entered. Therefore the total flowrates cannot be manually edited and the boxes appear gray. ► To set mass composition:

1) Select Mass Composition by clicking on the small circle in front of “Mass Composition” in the Set area below the Composition area.

2) Click on the cell in the Mass Comp. column to enter edit mode. 3) Input the mass composition in percentage form (%). 4) Enter the total flowrate for the stream. This can be done in either mass flow or

volumetric flow. Click on the circle in front of the flow of choice, and the box will change to edit mode.

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Figure 6.23: Steps Taken to Set the Mass Composition and Total Flowrate of a Discrete Input

Stream

Note: SuperPro® will automatically calculate the ingredient flows based on the mass composition and total flowrate. Therefore the component flows cannot be manually altered while setting mass compositions.

6.4.6 The Composition, Etc. Tab for an Intermediate or Output Discrete Stream The Composition, Etc. tab is different for an input stream than for an intermediate or output stream. Figure 6.24, below, shows the Composition, Etc. tab for intermediate and output streams.

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Figure 6.24: The Composition, Etc. Tab for Intermediate and Output Discrete Streams

Note: SuperPro® will automatically calculate the components and flows of the streams based on the inputs and unit operations, so these fields cannot be edited by the user.

6.4.7 Setting the Density Value (Density Tab)

1) Click on the Density tab at the top of the stream properties window. 2) If the density of the mixture in the stream is known, this value can be inputted by

clicking the circle in front of the words “Set by User”. The box will be in edit mode after the circle is selected.

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Figure 6.25: Setting a Known Mixture Density

3) If the density is unknown, SuperPro® can calculate the density based on the

contribution to each ingredient in the stream. 4) Click the circle in front of the word “Calculated” to access the Volumetric

Contribution Coefficients area. 5) Click the circle in front of “Ingredient 6) ” or “Component 7) ” based on the data to be inputted. If all of the ingredients are pure components,

there will be no difference between the Ingredients and Components options. 8) Click on the cell in the Coefficient column to enter edit mode. 9) Enter the desired coefficient.

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Figure 6.26: Setting the Density Based on Ingredient or Component Contributions for a Discrete

Stream

Note that intermediate and output streams from flow mixers or splitters do not include a Density tab. This is because the density of the intermediate and output streams are the same as the input stream.

6.5 Physical Characteristics It is often important to adjust the physical appearance of a stream or change the title from the generic number notation. This section will provide instructions on how to format the flow diagram to look appealing. To reach the Stream Style Window, right-click on the stream and select:

Style >> Edit Style…

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Figure 6.27: How to Reach the Stream Style Window

Once Edit Style… is selected, the following window will appear:

Figure 6.28: The Stream Style Window

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6.5.1 Changing the Color, Style, and Thickness of the Stream Colors, styles, and thicknesses can be used to classify streams and provide an indication of the nature of a stream. For example, if a stream contains a hazardous substance, it can be changed to a specific color, along with all other streams containing hazardous substances, to allow the user and other readers to recognize that the stream contains a hazardous substance. Entire sections of a process can also be edited to be a specific color, separating the section from the rest of the process. The following steps describe how to change the color, style, and thickness of a stream.

1) Click on the Stream Line tab at the top of the Stream Style window. Note: The Stream Line tab will automatically appear on top when the Stream Style window is opened.

2) Click the circle in front of the style of choice. Choices include solid, dotted, dashed, dash-dot, dash-dot-dot, and invisible.

3) Click the circle in front of the thickness of choice. Note that different thicknesses are only available for solid lines. All options other than 1 pt are non-editable when a style other than solid is selected.

4) Click on the button marked Colors… to open a separate color window.

Figure 6.29: The Colors Window

5) Click on the color of choice and click OK to accept the change.

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6.5.2 Editing the Tag Properties In addition to colors, the appearance and location of the stream tags can be edited, as well as the actual text of the tag. The following sections explain how to change these properties.

6.5.2A Changing the Tag Name To edit the stream’s tag name, right-click on the stream and select:

Edit Tag Name…

Figure 6.30: How to Reach the Edit Tag Name Window

After Edit Tag Name… is selected, the following window will appear:

Figure 6.31: The Edit Tag Name Window

To change the tag name, enter the desired name in the text box and click OK to accept the change.

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6.5.2B Editing the Tag Text Style

6) Click on the Name Tag: Text tab at the top of the Stream Style Window. For information on how to reach the Stream Style window, refer to 6.5 Physical Characteristics.

7) To remove the tag completely, click on the box in front of Show Label to remove the “x”.

8) To change the font of the tag, click on the Font button to open a separate font window in which the user can select the desired font, size, and font style.

9) To change the color of the tag text, click on the Font button to open the font window and click on the drop down menu labeled Color to choose from a list of colors.

10) To change the color of the background of the tag, click on the Color button on the Name Tag: Text tab to open a separate color window in which the user can select the desired color. Note that a color can be chosen only if the text background is specified as Opaque. If the desired background is clear, choose the Transparent option. This will allow any lines behind the tag to show through.

Figure 6.32: The Name Tag: Text Window

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6.5.2C Editing the Appearance of the Tag Frame

1) Click on the Name Tag: Frame tab at the top of the Stream Style Window. 2) Click the circle in front of the style of choice. Choices include solid, dotted,

dashed, dash-dot, dash-dot-dot, and invisible. 3) Click the circle in front of the thickness of choice. Note that different thicknesses

are only available for solid lines. All options other than 1 pt are non-editable when a style other than solid is selected.

4) Click on the button marked Colors… to open a separate color window in which the user can select the desired color.

Figure 6.33: The Name Tag: Frame Window

6.5.2D Editing the Location of the Stream Tag

1) Click on the Name Tag: Location tab at the top of the Stream Style Window. 2) Select the segment of the stream in which the tag should be located by clicking

the circle in front of the desired segment. Note that if Next to Source Point is selected, the two bottom sections become non-editable.

3) Select the necessary locations in the Rel. Location (Vert. Segment) and Rel. Location (Horz. Segment) areas to position the tag as desired.

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Figure 6.34: The Name Tag: Location Window

6.5.2E Picking Up and Applying a Stream Style If a particular stream style is desired for more than one stream, it is possible to apply all of the same properties for another stream without having to change the options again. To utilize this option, right-click on the stream and select:

Style…>> Pickup Style

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Figure 6.35: How to Pickup a Stream Style

An alternate way to pickup a stream style is to click the button on the Visual Objects Toolbar along the right side of the SuperPro® window. To apply the style to another stream, right-click on the stream and select:

Style…>>Apply Style Note: If the style of a stream has not been picked up, the Apply Style option will not be present.

Figure 6.36: How to Apply a Stream Style

An alternate way to apply a stream style is to click the button on the Visual Objects Toolbar along the right side of the SuperPro® window.

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7.0 Specify Operations Once the user has added unit procedures and input, output, and intermediate streams, it is necessary to specify the Operation that will occur within each piece of equipment. The design in its current state is inactive. The pieces of equipment and piping between units are present, but nothing is actually happening. Individual pieces of equipment allow for a wide variety of operations. It is important for the user to specify operations from simply mixing and fermenting to transferring stream contents in and out of units. The following sections will describe in further detail how to add, remove, and insert operations in SuperPro®.

7.1 Adding/Removing Operations To add or remove operations for a particular unit, click the right mouse button over the unit procedure to access the Unit Procedure Menu. Figure 7.1 below depicts the Unit Procedure Menu.

Figure 7.1: Unit Procedure Menu

Within the Unit Procedure Menu, select:

Add/Remove Operations

Note: This option is only available for processes in the batch or semi-continuous modes. The following figure, the Operation Interface, will appear in the design window.

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Figure 7.2: Operation Interface

The available operations will be different for different types of unit procedures. For example, a fermentation procedure, as in Figure 7.2, gives the user twenty-four options for types of operations, where a mixing tank only has three options. To access a list of the available operations, refer back to Table 5.1. To add a particular operation, simply click on the desired operation in the left-hand Available Operations Column and select:

>>Add>> The selected operation will then be added to the right-hand Operation Sequence Column. Additional operations can be added to the operation sequence, however, the SuperPro® functions >>Add>> and >>Insert>> are sensitive to the order in which they are utilized. For example, if the operation sequence presented in Figure 7.3 below is the current sequence and the user wants to incorporate a TRANSFER OUT operation after the FERMENT operation, simply:

1) Highlight the FERMENT option (as shown in Figure 7.3) 2) Highlight the TRANSFER OUT option 3) Select >>Add>>

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1

3

2

Figure 7.3: >>Add>> Function

Once these steps are taken, TRANSFER OUT will be added as an operation following the FERMENT operation, as shown in Figure 7.4.

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Figure 7.4: Result of >>Add>> Function

To add an operation between two current operations, the >>Insert>> function needs to be utilized. For example, to insert a TRANSFER IN operation before the FERMENT operation and after the CHARGE operation, simply:

1) Highlight the FERMENT option 2) Highlight the TRANSFER IN option 3) Select >>Insert>>

As shown in Figure 7.5, the TRANSFER IN operation is now inserted between CHARGE and FERMENT.

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Figure 7.5: >>Insert>> Function

Once operations are added or inserted in the operation sequence, they can be deleted by highlighting the particular operation and selecting the Delete button, as shown above in Figure 7.5. Note: It is important to develop the proper operation sequence early in the process. Once additional specifications are made in the simulation, the operation sequence can be changed or reordered, however changing the sequence may cause problems with scheduling and other design parameters.

7.2 Renaming Operations The names of operations can be changed by utilizing the Rename option. By highlighting an operation and selecting the Rename option, the following interface, shown in Figure 7.6, will appear.

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Figure 7.6: Renaming an Operation

The user is given the option to rename an operation to allow for easy reference, such as, for example, saying “Charge Glucose” versus “Charge Water” or to utilize the terminology familiar to a particular business.

7.3 Operation Data Once operations are added to unit procedures, operation data can be monitored and edited through the Operation Data Interface. To access this interface:

1) Click the right mouse button over the unit procedure 2) Select Operation Data 3) Select the operation of choice

Figure 7.7 below represents the steps need to access the Operation Data Interface for a particular operation.

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Figure 7.7: Accessing Operation Data Interface

For example, if Charge-1 were selected from the above figure, the following interface, in Figure 7.8 would appear.

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Figure 7.8: Operation Data Interface

As showing in Figure 7.8 above, the Operation Data Interface allows the user to manually input operation characteristics for the following categories:

• Operation Conditions • Emissions • Labor, etc. • Description • Scheduling

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For more complicated operations, such as reactions and fermentations, additional tabs such as Reactions and Volume will be present. For these types of operations, the user is required to specify the kinetic and stoichiometric data as well as the maximum allowable and minimum allowable volume for that procedure. For additional information on the functions of each individual operation, refer to the Help menu of SuperPro® that is located in the top right-hand corner of the flowsheet, as shown in Figure 7.9.

Figure 7.9: Accessing Help Menu

Users can access the Help Topics section of this menu and search for more specific information on the many types of operations.

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8.0 Schedule Process After the process has been specified with unit procedures, streams, and operations, it is necessary to begin scheduling the process. To begin scheduling the first unit procedure, right-click on the unit procedure and select:

Operation Data >> [First Operation in Procedure]

Figure 8.1: Accessing the Properties Window of a Unit Operation

This menu lists the unit operations that are present in the unit procedure in the order that they were added to the procedure. If the operations are not in the desired sequence, refer to Section 7.1 for information on how to change the order of the operations. Note: Scheduling is only necessary for batch processes. Continuous processes require no scheduling information in order for the procedure to run. Once the order of the operations has been verified, the scheduling process can begin. The user should choose the first operation in the unit procedure and they will arrive at a screen similar to Figure 8.2.

1) Click on Oper. Cond’s tab. Note: The Oper. Cond’s tab will automatically appear on top when the Unit Operation Properties window is opened.

2) Specify setup time. 3) Specify process time (three methods: user specified, simulation calculated,

master-slave relationship).

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Figure 8.2: Operation Duration Conditions

To continue directly to the next operation for the unit procedure, select:

OK>>

8.1 Specification of Setup Time The setup time will be specified by SuperPro® for each operation based on simulation standards. To change the setup time to be more specific for a certain process, click on the white space around the value and enter the desired value. To change the units of time click on the arrow next to the units box and select the desired units.

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8.1.1 User Specified If the process time for a particular operation is known, the user may provide the time numerically by choosing the Set by User option as seen in Figure 8.3. In the box next to the Set by User option, the user may enter the desired time value and select the appropriate corresponding units.

8.1.2 Simulation Calculated The process time for any operation can be calculated by SuperPro® by choosing the Calculated Based on function. In order to utilize this function the user must specify a rate-determining step (example: for a transfer-in/transfer-out operation, the rate-determining step is the mass or volumetric flow rate). In the example where the operation is transfer-in, the user must input a mass flow rate or a volumetric flow rate. This can be done by clicking the box next to the appropriate units and entering the desired rate value (see Figure 8.2).

8.1.3 Master-Slave Relationship The final option for specifying the process time for an operation is to set up a master-slave relationship. The master-slave relationship option allows the user to specify the duration of a process based on the duration of another process or a series of processes. To use this option, click the circle next to Set by Master-Slave Relationship. After the option has been chosen, the conditions of the relationship can be specified by clicking the Setup… button (see Figure 8.3).

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Figure 8.3: Operation Duration: Master-Slave Relationship

Once the user chooses the Setup… button, a screen similar to Figure 8.4 will appear. The Slave Operation at the top of Figure 8.4 should be verified as the operation that the user is currently scheduling. The user must then specify the Master Procedure. The master procedure can be specified as either the same as the slave operation’s procedure, or as another procedure in the process.

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Figure 8.4: Master-Slave Relationship – Master Procedure Setup

Once the master procedure is chosen, the Master Operation can be specified. This is done by choosing to match a single operation or to match a sequence of operations. Choosing to match a single operation will specify to SuperPro® that the slave operation should take the same amount of time as the master operation, while choosing to match a sequence of operations will specify that the slave operation should take the same amount of time as a group of operations in sequence.

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Figure 8.5: Master-Slave Relationship – Master Single Operation Setup

When matching a sequence of operations, the user should specify which operation the master sequence should start with and which operation it should finish with (i.e., the beginning of the slave operation should start at the same time as the master operation that is chosen in the Starting With box, and the slave operation should end at the same time as the master operation that is in the Ending With box). As indicated by Figure 8.5, the master operations are chosen by clicking on the down arrow next to the corresponding box.

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Figure 8.6: Master-Slave Relationship – Master Sequence Operation Setup

8.2 Scheduling Relationships After the operation duration time has been specified, the next step in the scheduling process is to specify the scheduling relationships. As seen in Figure 8.7, the screen needed to specify these relationships can be found by choosing the Scheduling tab on the operation data screen. The scheduling screen has three sections including: Start Time, Duration, and Cycle Information. The Duration process and setup time will automatically be calculated by SuperPro® once the information has been specified on the Operation Conditions tab. In the event that the entries for the duration time section are erroneous, they can be corrected by selecting the corresponding value and entering the adjustment. The duration section also has a third time that needs to be specified by the user. The Turnaround Time for the operation will not be specified by SuperPro® and must be keyed in by the user in the corresponding box (see Figure 8.7).

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Figure 8.7: Scheduling Overview Screen

The next task in the scheduling process is to indicate when each operation should start. This can be done in the Start Time section of the scheduling screen (see Figure 8.8). If the starting time of the operation is known, the user can indicate a start time shift. If the starting time is not known, a scheduling relationship can be used to determine when the operation will begin. The four scheduling relationships are:

• Relative to the beginning of the batch • Relative to a previous operation in the procedure • Relative to another operation in the procedure • Relative to an operation in another procedure

Note: When using a scheduling relationship, remember that indicating a start time shift will cause a shift from the beginning of the relationship time specification.

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Figure 8.8: Scheduling Overview Screen – Start Time Information

8.2.1 Using the “Beginning of the Batch” Relationship Scheduling an operation using the beginning of the batch relationship allows the user to indicate a start time relative to the beginning of the batch for a certain operation in the unit procedure. This is the simplest method of scheduling, however should only be used if the duration of each operation known so that the proper start time shift can be specified.

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8.2.2 Using the “Previous Operation in the Same Procedure” Relationship The start time of an operation can also be scheduled according to the start or end time of another operation in the same unit procedure. This is done by choosing the circle next to Relative to Previous Operation in the Procedure, and choosing the desired operation for comparison. Then it must be specified whether the operation should begin at the start or the end of the previous operation. Note: If the user is specifying the first operation in the unit procedure, this start time scheduling option is not available, as seen in Figure 8.8.

8.2.3 Using the “Another Operation in Same Procedure” Relationship The next scheduling relationship allows the user to specify the start time of a certain operation based on the starting or ending time of another operation in the same procedure. To characterize this scheduling relationship, the user should click the down arrow next to the corresponding box and choose the other operation (see Figure 8.9). After the other operation has been selected, start or end should be specified to indicate whether the start time for the current operation should be at the start of the selected operation or at then end of it.

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Figure 8.9: Start Time Relationship – Relative to Another Operation in this Procedure

8.2.4 Using the “Another Operation in Another Procedure” Relationship The final relationship to program the start time of an operation is to schedule according to the start or end time of an operation in another procedure in the process. As seen in Figure 8.10, this is done by choosing the circle next to Relative to Another Operation in Another Procedure. To specify this relationship, the user should indicate the other procedure and other operation that the current operation should correspond to (see Figure 8.10). Again, it must be indicated whether the start time of the operation will begin at the start or end of the other operation.

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Figure 8.10: Start Time Relationship – Relative to Another Operation in Another Procedure

Once the start time and the duration time have been completely specified according to the procedures above, scheduling for the operation in the unit procedure is complete. This process should be repeated for all of the operations in each unit procedure. When the scheduling process is finished, the simulation should run to completion without any scheduling errors. Scheduling errors for specific operations can be corrected by ensuring proper scheduling according to the above procedures.

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8.3 Process Schedule Information Once the scheduling process is complete and the simulation runs without errors, the user can view the scheduling information for the process by selecting:

Task >> Recipe Scheduling Information

Figure 8.11: Recipe Scheduling Information Command Screen

Selecting this option will bring up a screen similar to Figure 8.12. This figure is an overview of all the scheduling information for the process. It indicates the total time to complete a batch, the number of batches that can be made in a year, the amount of time the process will be running through out the year, and the longest procedure and bottleneck of the process. The number of batches per year can be user specified by clicking on the circle in front of Set by User, in the number of batches per year section. If there are changes made to the scheduling process after this screen is viewed, click on Update Sched. Outputs to update this scheduling summary.

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Figure 8.12: Recipe Scheduling Information Data

8.4 Accessing Gantt Charts SuperPro® will generate Gantt charts to aid in the scheduling of the simulation. After all of the operations have been scheduled and the simulation runs smoothly, it is possible to create the Gantt charts. To open a Gantt chart, select:

Tasks >> Gantt Charts

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Figure 8.13: The Gantt Charts Menu

There are four different kinds of Gantt charts:

• Operations GC • Equipment GC • Operations GC (Multiple Batches) • Equipment GC (Multiple Batches)

The Operations Gantt Chart displays the time involved in each operation, segmented by the unit procedures in which the operations take place. The Operations Gantt Chart for multiple batches contains the same information, but includes more than one batch run. The Equipment Gantt Chart displays the time involved in each operation, segmented by both the unit procedures and the equipment in which the operations take place.

9.0 Specify Labor Requirements Specifying labor requirements allows the user to perform a more accurate economic evaluation of the process. Labor requirements can be specified for each operation in each unit procedure. To begin labor specifications, right-click on the unit procedure and select:

Operation Data >> [First Operation in Procedure]

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Figure 9.1: Operation Data Command Screen

Once the first operation is selected, the user will see a screen similar to Figure 9.2 and should click on the Labor, etc. tab at the top of the screen.

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Figure 9.2: Operation Conditions Main Screen

Once the labor window is open, the user should first choose the type of operator for the operation. To access a list of the available types of operators, click on the word “Operator” to make a down arrow appear and then click the down arrow next to it. The list of available operator types is shown below in Figure 9.3. The type of operator chosen should be decided by the type of operation. If the user prefers a more generalized labor assessment, the general operator can be used instead of a more specific one.

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Figure 9.3: Operation Operator Specifications

Next, the user should specify the value of the operator in Labor-hrs/hr or Labor-hrs/cycle by clicking on the corresponding box and the downward arrow associated with it (see Figure 9.4).

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Figure 9.4: Operation Labor Units Specification

Once the operator and units are determined, the number of operators can be changed by clicking on the Add Labor or Delete Labor buttons (see Figure 9.5).

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Figure 9.5: Operation Add/Delete Labor

10.0 Perform Economic Evaluation The economic evaluation is arguably the most important aspect of any process. Before an economic analysis can be performed in SuperPro®, a number of things have to be specified:

1) Component Costs 2) Stream Costs 3) Equipment costs 4) Labor & Utility costs

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The following sections will describe how to determine each of these costs using SuperPro® and how to use SuperPro® to perform an economic evaluation of the process.

10.1 Specifying Component Costs Chapter 4 discusses how to register components for a process. Once the components are registered, the cost of the components can be specified by selecting Properties on the component registration interface. For more information about how to access the Component Registration interface, refer to Chapter 4.

Figure 10.1: Component Registration Interface

Selecting properties will bring up the Component Properties interface, which will look similar to Figure 10.2. To input economic information such as purchasing price, selling price, or waste treatment cost, the Economics tab must be selected, as is done in the following figure.

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Figure 10.2: Component Economic Properties Interface

1) If the component is a reactant, the user should specify the purchasing cost of the

component. 2) If the component is a product, the user should specify the selling price of the

component. 3) If the component is a waste product or byproduct, the user should specify the

waste treatment or disposal cost. These costs can be specified by clicking on the box next to the corresponding cost description, as shown above in Figure 10.2. Then the known values from suppliers or other sources can be entered into the appropriate space. There is also space available to specify the supplier from whom the component is purchased and any comments regarding the component.

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10.2 Stream Costs When determining the costs of streams, the first thing that needs to be evaluated is the economic classification of the stream. Each stream can be designated as Revenue, Raw Material, or Waste and then specified with revenue or cost values. Figure 10.3 is the command interface for bringing up the revenue, raw material, and waste stream information. To get to the information screen, select:

Tasks >> Revenue, Raw Material, and Waste Streams

Figure 10.3: Stream Specification Command Interface

The Revenue, Raw Material, and Waste Streams Specification Interface, as shown below in Figure 10.4, allows the user to specify which streams will be a source of income, and which screens will be a cost to the process. The streams on this interface are separated into groups of input streams and output streams.

10.2.1 Product Stream Specification The user can also indicate which stream is the main product stream and which component of the stream is the desired product. When choosing the main product stream, the user can direct SuperPro® to consider all streams in the process or just revenue streams. This can be done by clicking on the circle next to either Show Revenue Streams Only or Show all streams. Once that is decided, the user should click on the down arrow next to the stream box and choose the main product stream. After the main product stream is determined, the user can designate, by clicking on the corresponding circle that the entire

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stream is the desired product or a particular component in the stream is the desired product. If a particular component of the product stream is the desired product, click on the down arrow next to the corresponding box and select that component.

Figure 10.4: Revenue, Raw Material, and Waste Streams Specification Interface

10.2.2 Output Stream Classification Before stream costs can be entered into SuperPro®, each output stream must be classified as either Revenue or Waste. SuperPro® gives the user four choices for the classification of output streams:

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• Revenue • Solid Waste • Liquid Waste • Emissions

All of the output streams are listed on the left side of the Specifying Output Stream Classifications interface. To specify the classification of the stream, the user should click on the down arrow next to the corresponding box in the classification column of the table. Then the unit cost of treatment/disposal or selling price of the stream can be specified in the third column. Some streams may be automatically determined by SuperPro®, but most will need to be set by the user. Finally, once the streams have been classified and quantified, they can be marked as hazardous if applicable, using the fifth column in Figure 10.5.

Figure 10.5: Specifying Output Stream Classifications

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10.2.3 Input Stream Classification Specifying the input streams is done in much the same way as the output streams. In the case of input streams there are only two possible classifications for the streams: Revenue and Raw Material. Again, all the input streams are listed on the left hand side of the table at the bottom of Figure 10.6, the streams are classified by clicking the down arrow in the corresponding box in the classification column. However, for input streams, most of the costs associated with the streams are obtained from component cost information, which has already been entered. The values in the purchasing price/processing fee column may be altered by clicking on the box and entering the desired value.

Figure 10.6: Specifying Input Stream Classifications

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10.3 Equipment Costs The next area of cost specification is for the equipment in the process. To specify the economic information for equipment, right-click on the piece of equipment and select:

Equipment Data

Figure 10.7: Equipment Data Specification Command

Choosing this command will bring up a screen similar to Figure 10.8. On this screen, the purchase cost tab should be selected so the equipment economics can be viewed and further specified if necessary. In most cases, SuperPro® will indicate a equipment cost based on user specified size and capacity that was discussed in Chapter 5. The cost that is specified is adjusted for the year 2004, but can be altered by clicking on the box and entering the desired value.

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Figure 10.8: Equipment Purchase Cost Information

10.4 Labor & Utility Costs

Labor costs are determined from the labor information input in Chapter 9 of this manual. However, the utility costs can be specified by selecting the Labor, etc. tab on the operation conditions interface as shown below in Figure 10.9. In the bottom section of the interface, each utility is given prices which are determined by SuperPro® according to the national average cost. These prices are displayed in gray boxes and can’t be edited by the user.

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In order for SuperPro® to accurately determine the utility costs of the process, it is necessary to input the rate at which the utilities are being used. To do this, click the box next to Rate, for each utility, and enter the desired value.

Figure 10.9: Labor Tab for Operation Conditions Interface

10.5 Economic Evaluation Reports Once all the costs associated with each aspect of the process have been specified, the economic evaluation of the process can be performed. The economic evaluation of the process is a process calculation performed by the simulation and output from SuperPro®. In order to perform this function, the mass and energy balances must first be run and completed. Then the user can perform the evaluation by selecting:

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Tasks >> Perform Economic Calculations from the menu bar, as shown in Figure 10.10.

Figure 10.10: Performing Economic Calculations Interface

Note that choosing this command does not bring up any additional interfaces. Instead, SuperPro® does the calculations internally and the user can then generate the economic evaluation report. To access this report, select:

Tasks >> Generate Economic Evaluation Report (EER)

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Figure 10.11: Generating Economic Evaluation Report Interface

Performing this command will bring up the screen below, which requires the user to save the economic evaluation report as a file. This file can be opened in WordPad or Notepad.

Figure 10.12: Saving EER Interface

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After the Economic Evaluation Report has been saved, the file can be opened and viewed. To view the Economic Evaluation report, select:

View >> Economic Evaluation Report as shown in figure 10.13. This command will bring up all the economic information for the process including total revenue and payback period.

Figure 10.13: View Economic Evaluation Report Command Screen

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11.0 Perform Emissions and Environmental Impact Assessment Prior to performing an emissions and environmental impact assessment in SuperPro®, the environmental properties of each pure and stock component must be registered within SuperPro® designer. Various classifications exist for both emission and environmental impact reporting. The following sections will describe the necessary steps to define emissions and environmental properties, generate the emissions and environmental impact reports and understand the resulting reports.

11.1 Defining Pollutant Category for Registered Components and Mixtures To define pollutant categories for emissions and environmental impact wastes for Pure Components, select:

Tasks>>Register Pure Components & Mixtures>>Pure Components

Figure 11.1: Selecting the component or stock mixture for registering emissions and environmental

classifications

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Note: To access the Component Registration window for a Stock Mixture, select:

Tasks>>Register Pure Components & Mixtures>>Stock Mixtures After the Component Registration window is open, click on the number beside the component of choice to highlight the component and click the Properties button to access the Pure Components Properties window:

Figure 11.2: Pollutant Categories Window

Two tasks may be performed through the Pollutant Categories window:

a) Defining Emissions Report considerations b) Defining Environmental Impact Report considerations

The following sections will assist the user in determining which classifications to specify.

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11.1.1 Defining Emissions Pollutant Categories SuperPro® allows for the specification of eight major air pollutant classes in addition to up to five other user defined categories. The following information will help the user decide which emissions classifications to select. Based on the New Jersey Department of Environmental Protection, raw materials and air pollutants can be categorized into specific pollutant categories. These categories do not include the air distillates described in the New Jersey Department of Environmental Protection Amendment NJAC 7:27-8.1. Some materials may fit into more than one category and should be categorized twice if there is any uncertainty. The current version of SuperPro® will not allow the user to categorize components into more than one category, but future versions plan to allow the user to specify as such. Note: Additional categories are available if needed for state regulations. For information on how to specify additional categories, refer to Section 11.1.1A. The following table presents the major categories of emissions based on information given by SuperPro®.

Table 11.1: Pollutant Categories Category Sub-Category Material Description

Biological A. Infectious agents which require practices, safe equipment, and facilities that constitute Biosafety Level 2 or higher (See Error! Reference source not found.)

Radionuclide B. Radionuclide which are contained as particulates (as listed in N.J.A.C. 7:28-6.5)

Cr+6 C. Compounds of hexavalent chromium which are contained as particulates

Metal D. Compounds of any of the following metals which are contained as particulates: Pb, Hg, Cd, Be, As, Ni, and Cr

Asbestos E. Particulates which contain asbestos Dioxin F. Dioxins (See Error! Reference

source not found.) LOC G. Materials which are liquid organic

compounds emitted as particulates HAP-Particulate H. Hazardous Air Pollutants (See Error!

Reference source not found.)

Category I

Total Particulate: materials which

could not be detected by NJ Air

Test Method 1 (See Note 6)

Other Particulate I. Particulates which do not fit into the above sub-categories

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VCM A. Vinyl Chloride Monomer TVOS B. Materials which are toxic volatile

organic substances listed in the NJAC 7:27-17 Table 1

EVOS C. Materials which are exempt volatile organic substances listed in the NJAC 7:27-16.1 (See Error! Reference source not found.)

HAP-VOC D. Hazardous Air Pollutants listed in Note 10 except VCM (See Error! Reference source not found.)

Category II

Total VOC (Volatile Organic

Compound): materials which

could not be detected under NJ Air Test Method 3

Other VOC E. Volatile Organic Compounds which are not included in the above sub-categories

HAP-ACID A. Hazardous Air Pollutants (See Error! Reference source not found.)

Category III

Acid Gases: materials that are

acid gases and may or may not be detected as a

particulate using NJ Air Test

Method 1 or as VOC using Method 3

ACID

B. Acid Gases which are not included in sub-category A, including but not limited to F2, SO3, and H2S

HAP-GAS A. Hazardous Air Pollutants (See Error! Reference source not found.)

Category IV

Extraordinarily Toxic Gases

(ETG)

GAS B. Gases which are not listed in Note 5 (See Error! Reference source not found.)

Category V

CO

CO A. Carbon Monoxide

Category VI

NOx

NOx A. Nitrogen Oxides: including N2O, NO, N2O3, N2O4, NO2, N2O5, N3O4, and NO3 (See Error! Reference source not found.)

Category VII

SO2 A. Sulfur Dioxide

Category VIII

Base

A. Materials which are base gases and may not be detected as a particulate using the NJ Air Test Method 1 or as VOC using Method 3

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Note 1: For the purpose of SuperPro® simulation, the above categories will be used to characterize all air pollutants and raw materials. Substances that cannot be fit into the above categories and subcategories, may be listed individually or included in a user-defined category (see Section 4.1.4B).

Note 2: The biological subcategory includes infectious substances that require practices, safety equipment, and facilities that represent a Biosafety Level 2 or higher as denoted by the Biosafety in Biomedical and Microbiological Laboratories Report in Section III.

Note 3: The Dioxin subcategory includes the following isomers of chlorinated dibenzo-p-dioxin (CDDs) and CAS Number -a unique numeric identifier that designates one substance

Charge - a method for adding an input to the unit

Chlorinated dibenzofuran (CDFs) :

• 2,3,7,8-TCDD • 1,2,3,7,8-PeCDD • 1,2,3,4,7,8-HxCDD • 1,2,3,7,8,9-HxCDD • 1,2,3,6,7,8-HxCDD • 1,2,3,4,6,7,8-HpCDD • 2,3,7,8-TCDF • 1,2,3,7,8-PeCDF • 2,3,4,7,8-PECDF • 1,2,3,4,7,8-HxCDF • 1,2,3,7,8,9-HxCDF • 1,2,3,6,7,8-HxCDF • 2,3,4,6,7,8-HxCDF • 1,2,3,4,6,7,8-HpCDF • 1,2,3,4,7,8,9-HpCDF

For more information about Dioxin compounds see Error! Reference source not found..

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Note 4: Includes the following substances:

• Methane • Trichlorofluoromethane • Dichlorodifluoromethane • Chlorodifluoromethane • Trifluoromethane • 1,1,2-Trichloro-1,2,2-Trifluoroethane • 1,2,-Dichloro-1,1,2,2 Tertafluoroethane • Chloropentafluoroethane

Note 5: Extraordinarily Toxic Gases

Name CAS Number Boron Trichloride (BCl3) 10294-34-5 Boron Trifluoride (BF3) 7637-07-2 Bromine Chloride (BrCl) 13863-41-7 Chlorine Dioxide (ClO2) 10049-04-4

Chlorine Pentafluride (ClF5) 13637-63-3 Chlorine Trifluoride (ClF3) 7790-91-2

Diborane (B2H6) 19287-45-7 Dichlorosilane (H2Cl2Si) 4109-96-0

Hydrogen Selenide (H2Se) 7783-07-5 Nitrogen Trifluoride (NF3) 7783-41-7 Oxygen Difluoride (OF2) 7783-41-7

Ozone (O3) 10028-15-6 Perchloryl Fluoride (ClFO3) 7616-94-6

Phosphorous Trifluoride (PF3) 7783-55-3 Selenium Hexafluoride (SeF6) 7783-79-1

Stibine (SbH3) 7803-52-3 Sulfur Tetrafluoride (SF4) 7783-60-0 Sulfuryl Fluoride (SF2O2) 2699-79-8 Tellurium Hexafluoride

(TeF6) 7783-80-4

Tetrafluorohydrazine (N2F4) 10036-47-2

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Note 6: CO2 is NOT a VOC

Note 7: Nitrogen Oxides include:

• N2O (nitrous oxide) • NO (nitric oxide) • N2O4 (dinitrogen tetroxide or nitrogen peroxide) • NO2 (nitrogen dioxide) • N2O5 (dinitrogen pentoxide) • N3O4 (trinitrogen tetroxide) • NO3 (nitrogen trioxide)

Note 8: Includes the following chemicals:

Name CAS Number Chlorine 7782505

Hydrogen Chloride 7647010 Hydrogen Fluoride 7664393

Note 9: Includes the following chemicals:

Name CAS Number Phosphine (PH3) 7803-51-2 Arsine (AsH3) 7784-42-1

Note 10: Includes the following chemicals:

Chemical Name CAS Number Acetaldehyde 75070

Acetamide 60355 Acetonitrile 75058

Acetophenone 98862 2-Acetylaminofluorene 53963

Acrolein 107028 Acrylamide 79061 Acrylic acid 79107 Acrylonitrile 107131 Allyl chloride 107051

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4-Aminobiphenyl 92671 Aniline 62533

o-Anisidine 90040 Asbestos 1332214

Benzene (including benzene from gasoline)

71432

Benzidine 92875 Benzotrichloride 98077 Benzyl chloride 100447

Biphenyl 92524 Bis(2-ethylhexyl)phthalate (DEHP) 117817

Bis(chloromethyl)ether 542881 Bromoform 75252

1,3-Butadiene 106990 Calcium cyanamide 156627

Caprolactam 105602 Captan 133062

Carbaryl 63252 Carbon disulfide 75150

Carbon tetrachloride 56235 Carbonyl sulfide 463581

Catechol 120809 Chloramben 133904 Chlordane 57749 Chlorine 7782505

Chloroacetic acid 79118 2-Chloroacetophenone 532274

Chlorobenzene 108907 Chlorobenzilate 510156

Chloroform 67663 Chloromethyl methyl ether 107302

Chloroprene 126998 Cresols/Cresylic acid (isomers and

mixture) 1319773

o-Cresol 95487 m-Cresol 108394 p-Cresol 106445 Cumene 98828

2,4-D, salts and esters 94757 DDE 3547044

Diazomethane 334883 Dibenzofurans 132649

1,2-Dibromo-3-chloropropane 96128 Dibutylphthalate 84742

1,4-Dichlorobenzene(p) 106467

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3,3-Dichlorobenzidene 91941 Dichloroethyl ether (Bis(2-

chloroethyl)ether) 111444

1,3-Dichloropropene 542756 Dichlorvos 62737

Diethanolamine 111422 N,N-Diethyl aniline (N,N-

Dimethylaniline) 121697

Diethyl sulfate 64675 3,3-Dimethoxybenzidine 119904

Dimethyl aminoazobenzene 60117 3,3'-Dimethyl benzidine 119937

Dimethyl carbamoyl chloride 79447 Dimethyl formamide 68122

1,1-Dimethyl hydrazine 57147 Dimethyl phthalate 131113 Dimethyl sulfate 77781

4,6-Dinitro-o-cresol, and salts 534521 2,4-Dinitrophenol 51285 2,4-Dinitrotoluene 121142

1,4-Dioxane (1,4-Diethyleneoxide) 123911 1,2-Diphenylhydrazine 122667

Epichlorohydrin (l-Chloro-2,3-epoxypropane)

106898

1,2-Epoxybutane 106887 Ethyl acrylate 140885 Ethyl benzene 100414

Ethyl carbamate (Urethane) 51796 Ethyl chloride (Chloroethane) 75003

Ethylene dibromide (Dibromoethane)

106934

Ethylene dichloride (1,2-Dichloroethane)

107062

Ethylene glycol 107211 Ethylene imine (Aziridine) 151564

Ethylene oxide 75218 Ethylene thiourea 96457

Ethylidene dichloride (1,1-Dichloroethane)

75343

Formaldehyde 50000 Heptachlor 76448

Hexachlorobenzene 118741 Hexachlorobutadiene 87683

Hexachlorocyclopentadiene 77474 Hexachloroethane 67721

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Hexamethylene-1,6-diisocyanate 822060 Hexamethylphosphoramide 680319

Hexane 110543 Hydrazine 302012

Hydrochloric acid 7647010 Hydrogen fluoride (Hydrofluoric

acid) 7664393

Hydrogen sulfide 7783064 Hydroquinone 123319

Isophorone 78591 Lindane (all isomers) 58899

Maleic anhydride 108316 Methanol 67561

Methoxychlor 72435 Methyl bromide (Bromomethane) 74839 Methyl chloride (Chloromethane) 74873

Methyl chloroform (1,1,1-Trichloroethane)

71556

Methyl ethyl ketone (2-Butanone) 78933 Methyl hydrazine 60344

Methyl iodide (Iodomethane) 74884 Methyl isobutyl ketone (Hexone) 108101

Methyl isocyanate 624839 Methyl methacrylate 80626

Methyl tert butyl ether 1634044 4,4-Methylene bis(2-chloroaniline) 101144

Methylene chloride (Dichloromethane)

75092

Methylene diphenyl diisocyanate (MDI)

101688

4,4¬-Methylenedianiline 101779 Naphthalene 91203 Nitrobenzene 98953

4-Nitrobiphenyl 92933 4-Nitrophenol 100027 2-Nitropropane 79469

N-Nitroso-N-methylurea 684935 N-Nitrosodimethylamine 62759

N-Nitrosomorpholine 59892 Parathion 56382

Pentachloronitrobenzene (Quintobenzene)

82688

Pentachlorophenol 87865 Phenol 108952

p-Phenylenediamine 106503

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Phosgene 75445 Phosphine 7803512 Phosphorus 7723140

Phthalic anhydride 85449 Polychlorinated biphenyls

(Aroclors) 1336363

1,3-Propane sultone 1120714 beta-Propiolactone 57578 Propionaldehyde 123386

Propoxur (Baygon) 114261 Propylene dichloride (1,2-

Dichloropropane) 78875

Propylene oxide 75569 1,2-Propylenimine (2-Methyl

aziridine) 75558

Quinoline 91225 Quinone 106514 Styrene 100425

Styrene oxide 96093 2,3,7,8-Tetrachlorodibenzo-p-

dioxin 1746016

1,1,2,2-Tetrachloroethane 79345 Tetrachloroethylene (Perchloroethylene)

127184

Titanium tetrachloride 7550450 Toluene 108883

2,4-Toluene diamine 95807 2,4-Toluene diisocyanate 584849

o-Toluidine 95534 Toxaphene (chlorinated camphene) 8001352

1,2,4-Trichlorobenzene 120821 1,1,2-Trichloroethane 79005

Trichloroethylene 79016 2,4,5-Trichlorophenol 95954 2,4,6-Trichlorophenol 88062

Triethylamine 121448 Trifluralin 1582098

2,2,4-Trimethylpentane 540841 Vinyl acetate 108054

Vinyl bromide 593602 Vinyl chloride 75014

Vinylidene chloride (1,1-Dichloroethylene)

75354

Xylenes (isomers and mixture) 1330207 o-Xylenes 95476

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m-Xylenes 108383 p-Xylenes 106423

Antimony Compounds 0 Arsenic Compounds (inorganic

including arsine) 0

Beryllium Compounds 0 Cadmium Compounds 0 Chromium Compounds 0

Cobalt Compounds 0 Coke Oven Emissions 0 Cyanide Compounds1 0

Glycol ethers2 0 Lead Compounds 0

Manganese Compounds 0 Mercury Compounds 0 Fine mineral fibers3 0 Nickel Compounds 0

Polycylic Organic Matter4 0 Radionuclides (including radon)5 0

Selenium Compounds 0 Source: Environmental Protection Agencies Air Toxics Website An example of defining emissions categories for a specific component follows: To specify that a component has VCM emissions, click on the box next to VOC to make the subcategory editable. After VOC has been selected, click on the circle next to Specific to be able to choose the type of VOC. Now click on the square next to VCM. After the square has been clicked, an X will appear in the box. Figure 11.3 depicts the selection of VOC>>Specific>>VCM and Acid gas>>HAP-gas for glucose. To finish and save selections, select OK.

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Figure 11.3: Selection of VOC and Acid gas for emissions consideration

11.1.1A User-Defined Emissions Pollutant Categories To access these categories, right-click on a blank area of the simulation and select:

Preferences>>Emission Limits

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Figure 11.4: Accessing the Emission Limits Window

After Emission Limits… the following interface will appear:

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Figure 11.5: Adding User-Defined Pollutant Categories

User-defined pollutant categories can be added by selecting the square to the left of the input box (indicated by the red arrow in Figure 11.5) and typing the name of the category in the input box.

11.1.2 Defining Environmental Pollutant Categories SuperPro® allows the user to report pure components and mixtures as any of the following:

Solid Waste 1. 2. 3. 4. 5.

Liquid Waste Emission Hazardous SARA 313 33/50 EPA Program 6.

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The designation of solid waste, liquid waste and emission depend on the physical state of the exiting waste stream from a unit operation. SuperPro® typically pre-selects each component and mixture to be a solid, liquid and emission waste source. In order to change the environmental impact classification of a component or mixture, the user must access the Pollutant Categories window as specified in Section 11.1. In order to select or deselect the option of reporting a component as a solid waste, liquid waste or emissions, the user must toggle the preceding box so that desired specifications are marked with an X and undesired specifications contain empty boxes. The user is responsible for designating a pure component and/or mixture as a hazardous, SARA 313 or 33/50 source of waste with the aid of the following information: Information on both hazardous and SARA 313 reportable chemicals are accessible at the following URL: http://www.epa.gov/tri/chemical/RY2003ChemicalList.pdf Listed 33/50 wastes:

o Benzene o Carbon tetrachloride o Chloroform o Dichloromethane o Methyl ethyl ketone o Methyl isobutyl ketone o Tetrachloroethylene o Toluene o 1,1,1-Trichloroethane o Trichloroethylene o Xylenes o Cadmium and cadmium compounds o Chromium and chromium compounds o Cyanide compounds o Lead and lead compounds o Mercury and mercury compounds o Nickel and nickel compounds

Once the appropriate hazardous material classifications have been determined, the user inputs the selections in the same manner as was performed for defining emissions categories. Note: If the component or mixture is considered a hazardous waste, a concentration limit in units of ppm (parts per million) must be specified. Access Pollutant Categories window. Toggle the box for the appropriate hazard consideration and waste consideration so that an X appears in the box. Figure 11 depicts the selection of Is Reported in Liquid Wastes?>>Is Hazardous>>threshold value of 0.500ppm for Sodium Hydro Phosphate. To finish and save selections, select OK.

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Figure 11.6: Selection of hazard and waste considerations.

11.2 Generation of Emissions and Environmental Impact Reports Once all emissions and environmental impact properties have been user defined, SuperPro® is prepared to generate either an emissions or environmental impact report.

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11.2.1 Generation of Emissions Report (EMS) To generate an emissions report, proceed with the following selections, also illustrated in Figure 11.6:

Tasks>>Generate Emissions Report (EMS)….

Figure 11.7: Selection steps for generating an emissions report

Note: SuperPro® will prompt the user to designate a name and location for saving the generated emissions report. The file type should be left at default designation, THR File (*.ems). In addition, SuperPro®, by default, saves the file in the same directory as the simulation file and names the emissions report by the same file name as the simulation. If the user desires to name the file under a different name, or desires to save the file in a different directory, SuperPro® will not be able to access the report when prompted to generate a viewable emissions report.

11.2.2 Generation of Environmental Impact Report (EIR) To generate an environmental impact report, select:

Tasks>>Generate Environmental Impact Report (EIR)….

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Figure 11.8: Selection steps for generating an environmental impact report.

Note: SuperPro® will prompt the user to designate a name and location for saving the generated emissions report. The file type should be left at default designation, EIR File (*.eir). In addition, SuperPro®, by default, saves the file in the same directory as the simulation file and names the emissions report by the same file name as the simulation. If the user desires to name the file under a different name, or desires to save the file in a different directory, SuperPro® will not be able to access the report when prompted to generate a viewable environmental impact report.

11.3 Viewing an Emissions and Environmental Impact Report After generating either an emissions or environmental impact report, the user may view the generated information by performing the following selections, which are illustrated in Figure 11.9: For emissions report:

View>>Emissions Report For environmental impact report:

View>>Environmental Impact Report

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Figure 11.9: Selection steps for viewing an emissions report.

Note: SuperPro® automatically searches the file directory containing the simulation file for files with the same name as the simulation file, but with the appropriate extension (.ems and .eir for emissions and environmental impact reports, respectively). If the appropriate file is located, SuperPro® will automatically generate a text file containing the calculated information for emissions or environmental impact. If the user has decided to save the generated emissions and/or environmental impact report under a different name or file directory than defaulted by SuperPro®, the generated report may be viewed by performing the following selections:

View>>Any Report… SuperPro® will then prompt the user to specify the directory and file to open.

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11.4 Interpreting an Emissions and Environmental Impact Report Once SuperPro® has generated a viewable text file for the desired emissions and/or environmental impact report, the user is presented with the daunting task of making sense of the presented data.

11.4.1 Interpreting an Emissions Report Emissions reports contain two sections:

1. Emissions on a mass/time basis for each individual stream 2. Emissions on a mass/batch basis for total emissions for each batch

The first section specifies the stream name, source of the stream and the destination of the stream. The emissions specifications are presented in the 8 main categories of emissions as well as the subclassifications for each main emission category. A comparison between the calculated values versus the allowable values is given on a kg/h basis for each individual stream. Figure 11.10 depicts the stream portion of the emission report.

Figure 11.10: Illustration of a stream section from an emissions report.

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The second section of the emissions report presents information on the total emissions per batch. Again, a comparison between calculated values and allowable values is given for further comparison. Figure 11.11 depicts the emissions report on a per batch basis.

Figure 11.11: Illustrates the per batch portion of the emissions report.

11.4.2 Interpreting an Environmental Impact Report Environmental Impact Reports contain the following sections:

1. Stream section 2. Overall balance 3. Component fate 4. SARA 313 chemicals 5. 33/50 chemicals 6. Solid waste 7. Liquid waste 8. Emissions

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9. Hazardous streams 10. Pollution indices

Stream section: Each stream is described by its name, source and destination procedure (or INPUT/OUT). A list of each stream’s environmental and aqueous properties is included (TOC, COD, ThOD, etc.) as concentrations (in mg/l) and daily demands (kg carbon/day or kg oxygen/day). SuperPro® denotes the beginning of the stream section with the following title:

**** LUMPED ENVIRONMENTAL STREAM PROPERTIES SECTION ****

Overall balance section: Presents the total environmental load (increase or decrease) as reflected by the values of TOC, COD, etc. of all streams entering and leaving the process. Two tables are generated: 1) one presents the values either on a per hour basis (only choice for continuous processes) or on a per batch basis (batch processes); 2) the second table has the same numbers on a yearly basis. SuperPro® denotes the beginning of the overall balance with the following title:

**** OVERALL BALANCE Section ****

Component fate section: Presents the allocation of each chemical that either enters or is produced by the plant facility to all waste gateways. The first column presents the cumulative amounts of each chemical entering in any of the input streams of the plant, and the next three columns present the amounts leaving the plant in all waste streams (solid, liquid or gaseous). SuperPro® denotes the beginning of the component fate section with the following title:

**** COMPONENT FATE Section ****

SARA 313 chemicals section: Presents an accurate account of all SARA 313 chemicals entering and leaving the plant as well as their difference. SuperPro® denotes the beginning of the SARA 313 chemical section with the following title:

**** SARA 313 CHEMICALS Section ****

33/50 chemical section: Presents an accurate account of all 33/50 chemicals entering and leaving the plant as well as their difference. SuperPro® denotes the beginning of the 33/50 chemical section with the following title:

**** 33/50 CHEMICALS Section ****

Solid waste section: Consists of two parts. Part 1 enumerates all streams that are characterized as solid waste by listing their composition (weight %), flowrate (in kg/h) and annual flowrate (kg/year). Part 2 presents a detailed accounting from the component point of view; it shows how the total amount of each component leaving as solid waste is distributed in each stream. SuperPro® denotes the beginning of the solid waste section with the following title:

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**** SOLID WASTE Section ****

Liquid waste section: Consists of two parts. Part 1 enumerates all streams that are characterized as liquid waste by listing their composition (weight %), flowrate (in kg/h) and annual flowrate (kg/year). Part 2 presents a detailed accounting from the component point of view; it shows how the total amount of each component leaving as liquid waste is distributed in each stream. SuperPro® denotes the beginning of the liquid waste section with the following title:

**** LIQUID WASTE Section ****

Emissions section: Consists of two parts. Part 1 enumerates all streams that are characterized as emissions by listing their composition (weight %), flowrate (in kg/h) and annual flowrate (kg/year). Part 2 presents a detailed accounting from the component point of view; it shows how the total amount of each component leaving as emissions is distributed in each stream. SuperPro® denotes the beginning of the emissions section with the following title:

**** EMISSIONS Section ****

Hazardous streams section: Reports the hazardous streams. The format of this section is similar to those of waste streams. SuperPro® denotes the beginning of the hazardous streams section with the following title:

**** HAZARDOUS STREAMS Section ****

Pollution indices stream: Presents certain ratios that are indicative of the environmental kindness (or lack thereof) of a design case. The first index presented applies to processes that have a main revenue stream (e.g. manufacturing facilities with a main product stream). It reports the ratio of total amount of waste (solid, liquid and emissions) produced per kg of main revenue stream processed. The next three indices are similar but report each of the three separate categories of wastes instead. The next four indices apply to processing plants that employ raw materials. It reports the ratio of total, solid, liquid and gaseous waste produced per kg of raw material utilized. SuperPro® denotes the beginning of the emissions section with the following title:

**** POLLUTION INDICES Section ****

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Glossary

33/50 EPA Program -targeted 17 priority chemicals and set as its goal a 33% reduction in releases and transfers of these chemicals by 1992 and a 50% reduction by 1995, measured against a 1988 baseline -sought to foster a pollution prevention ethic, encouraging companies to focus on reducing releases of chemicals rather than treating and disposing of wastes

Acentric Factor

-developed by Pitzer in 1955 as a way of accounting for the ``non-central'' or ``acentric'' (size-shape) interactions empirically. The acentric factor, is defined as:

0.1)7.0(log 10 −=−= rsat

r TPω

Agitate - used to disturb the system as a method of mixing

Batch -(cyclical) mode where there is a dead time (or ‘off time’)

Biomass -any plant derived organic matter available on a renewable basis

BOD5 -amount of dissolved oxygen consumed in five days by biological processes breaking down organic matter

BOD5/BODu -ratio of the five-day BOD to the ultimate BOD value

BODu/COD -ratio of the ultimate biochemical oxygen demand to the COD of the component

Bulk Conversion Factor -amount of material present in a discrete entity. Given in units of g/entity or cm3/entity.

Bulk Stream -bulk streams have flow rates such as kg/h or kg/batch, where the amount of medium in the stream is apparent in the value of the flow rate.

CaCO3 -calcium carbonate; can be used as a dehydrohalogenating agent

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CAS Number

-a unique numeric identifier that designates one substance

Charge - a method for adding an input to the unit

Chlorinated dibenzofuran (CDFs)

-a family of chemicals that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran

Clean-in-Place (CIP) -used for cleaning processes using a cleaning agent

COD: Chemical Oxygen Demand -amount of oxygen required to chemically oxidize 1g of the component

Component -can be a pure constituent in a stream or a stock mixture. Some components can be broken down into Ingredient

Compressibility Factor - Z; corrects the gas density for deviations from the ideal gas law

Connect Mode -mode entered after clicking the Connect Mode button. Allows user to draw several streams in a row.

Continuous -procedures carried out continuously (i.e. they are ‘on’ all the time

Discrete Stream -discrete streams have flow rates such as vials/batch or bottles/batch, where each vial contains a particular mass or volume, making it possible to calculate the amount of medium in the stream.

DVDS/VDS: Degradable Volatile Dissolved Solids -fraction of the volatile dissolved solid amount of a component that is biodegradable

DVSS/VSS: Degradable Volatile Suspended Solids -fraction of the volatile suspended solid of the component that is biodegradable

. For example, air is a component that can be broken down into nitrogen and oxygen.

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EIR Report: Environmental Impact Report -presents information that describes the effects of the process output streams on the environment -contains a detailed tabulation of all chemicals that are regulated by the EPA or denoted as hazardous by the user

Enthalpy of Formation

-the enthalpy change associated with the formation of a compound from its constituent elements EPA: Environmental Protection Agency -a national organization that attempts to lead the nation’s environmental science, research, educational, and assessment efforts by:

• Developing and enforcing regulations for hazardous chemicals • Offering financial assistance to state and educational institutions for

environmental research • Performs environmental research to understand current environmental

problems • Strives to further environmental education in the public arena

Evacuate -complete removal of unit procedure contents

Heat Capacity -the amount of heat required to change its temperature by one degree, and has units of energy per degree

Heat of Vaporization -the energy required to change a gram of a liquid into the gaseous state at the boiling point is called the "heat of vaporization"

Henry’s Constant -the ratio of the aqueous-phase concentration of a chemical to its equilibrium partial pressure in the gas phase

Ingredient

-a pure constituent in a stream

Input Stream -a stream that carries material into a unit procedure. Components and flowrates for an input stream are usually set by the user. The exception is when the Pull-In operation is used.

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Intermediate Stream -a stream that carries material out of a unit procedure and into a different unit procedure. Components and flowrates for an intermediate stream are usually calculated by SuperPro®. The exception is when the Pull-Out operation is used.

Kmaxo -maximum biodegradation rate constant

Ks -half-saturation constant

Log10 (octanol/water) -used to indicate the hydrophobicity of a component -helps determine a component’s tendency to become sludge

Master-Slave Relationship - relationship formed between two operation to determine the duration time of the slave piece of equipment based on the duration time of the master operation

Mixed Mode -a combination of both a (cyclical) mode where there is a dead time (or ‘off time’) and procedures carried out continuously

Molecular Weight -the sum of the weights of the atoms of which it is made

NO3-NO2 : Nitrate/Nitrite Nitrogen -NO3-NO2 contribution of the component

Normal Boiling Point -the temperature at which a liquid's vapor pressure equals one atm

Normal Freezing Point -the temperature at a substance melts (or freezes) at one atmosphere

Operation -represents the simplest physico-chemical transformation step that can be modeled from simply charging data to a reaction -individual operations can be strung together to allow for more than one operation to occur in one unit procedure

Process Time - time it takes for a piece of equipment to run all the way through its part of the process

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Pull-In - allows the user to take in a material without directly knowing the amount of material needed

Pull-Out - allows the user to take out a material without directly knowing the amount of material needed

Pure Components Database -from this dialog you can:

• Inspect the contents of the pure component databank • View and edit the properties of any component in the databank • Add new components in the pure component databank • Delete components from the pure component databank

SARA 313 -the Superfund Amendments and Reauthorization Act (SARA) http://www.epa.gov/superfund/action/law/sara.htm

Saturation Vapor Pressure

-the vapor pressure associated with a saturated vapor (one which cannot contain more liquid molecules)

Select Mode -typical mode while in SuperPro® in which streams and operations can be clicked on and selected.

Selling Price -cost associated with the activities of the marketing and sales department. Their values are zero by default, assumes this cost is zero.

Setup Time -time it takes for the equipment to be initialized and setup

Steam-in-Place (SIP) -used to clean processes using steam

Stock Mixtures Database -system pool of mixtures with pre-specified property values (including composition) ready to be used (registered) in your design case

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Stream Elbow -a right angle bend in a stream, changing the stream from horizontal to vertical and vice versa.

Temporary Connect Mode -allows the user to draw a single stream and automatically returns to Select Mode

ThOD: Theoretical Oxygen Demand -theoretical amount of oxygen needed to oxidize 1g of the component -often equal to the COD

TKN: Total Kjeldahl Nitrogen -Kjeldahl nitrogen contribution of the component

TOC: Total Organic Carbon -organic carbon contribution of a component

TP: Total Phosphorus -denotes the phosphorus contribution of a component

Transfer In -allows the user to take in a material, but unlike Pull In, requires user to specify amount of material needed

Transfer Out -allows the user to take out a material, but unlike Pull Out, requires user to specify amount of material needed

TS: Total Solids -fraction of a component that is dissolved or present as a suspended solid

TSS/TS: Total Suspended Solids -fraction of solid component that is suspended in solution

Turnaround Time -time that it takes to return a piece of equipment back to its original condition (i.e., to prepare it for the next process, cleaning, resetting, etc.)

Unit Operation -represents the simplest physiochemical transformation step that can be modeled in the simulation

after the stream is drawn.

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Unit Procedure - a piece of equipment in which a sequence of modeled unit operations takes place

VDS/TDS: Volatile Dissolved Solids -fraction of the dissolved solid of a component that is volatile

VSS/TSS: Volatile Suspended Solids -fraction of the suspended solid component that is biodegradable

Waste Treatment or Disposal Cost -the cost of treating and/or disposing of certain process outputs, such as undesirable by-products, solvents, etc

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Index

# G 33/50 EPA Program................................. 25, 146, 156

H

A Heat Capacity ..................................................20, 158 Acentric Factor ................................................ 20, 156 Heat of Vaporization .......................................21, 158 Agitate ............................................................. 31, 156 Henry’s Constant .............................................20, 158

B I Batch.......................................................... 7, 109, 156 Ingredient............................................. 30, 66, 72, 158 Biomass ..................................................... 19, 25, 156 Input Stream .................................... 61, 126, 154, 158 BOD5 ............................................................... 22, 156 Intermediate Stream...................................61, 92, 159 Breakpoint ...............................................................48

J Bulk Conversion Factor................................... 76, 156 Bulk Stream..................................................... 60, 156

K C

Kmaxo .............................................................21, 159 CaCO3 ............................................................. 22, 156 Ks.....................................................................21, 159 CAS Number ..................................... 15, 19, 138, 157 Charge ....................................................... 31, 95, 157

L Chlorinated dibenzofuran (CDFs) ................ 137, 157 Clean-in-Place ................................................. 31, 157 Labor Requirements ..............................................115 COD: Chemical Oxygen Demand ........... 21, 154, 157 Log10...............................................................22, 159 Color (see style) Component ........................................ 11, 66, 120, 157 M Component Registration..........................................11

Master-Slave Relationship.............................103, 159 Compressibility Factor .................................... 20, 157 Mixed Mode ......................................................8, 159 Connect Mode ................................................. 62, 157 Mixture Registration................................................11 Continuous ......................................... 8, 101, 154,157 Mode of Operation.....................................................7 Cost Molecular Weight ............................................19, 159 Component ....................................................... 121 Stream............................................................... 123

N Equipment ........................................................ 127 Labor & Utility ................................................. 128 NO3-NO2..........................................................22, 159

D Normal Boiling Point.......................................19, 159 Normal Freezing Point.....................................19, 159 Default Physical Units...............................................9 Density ....................................................................82

O Discrete Stream ............................................... 60, 157 DVDS/VDS..................................................... 23, 157 Operations........................................ 7, 31, 49, 92, 159 DVSS/VSS ...................................................... 23, 157 Operation Data.......................................................101

E P EIR: Environmental Impact Report ......... 25, 148, 158 Procedure Data ........................................................42 Emissions .............................................................. 133 Process Time .................................................101, 159 Enthalpy of Formation..................................... 19, 158 Pull-in ....................................................................160 EPA: Environmental Protection Agency ........ 24, 158 Pull-Out .................................................................160 Equipment Data............................................... 44, 127 Pure Components Database .......................11, 20, 160 Evacuate .......................................................... 31, 158 Q F

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TKN: Total Kjeldahl Nitrogen........................22, 161

R TOC: Total Organic Carbon ...................22, 154, 161 TP: Total Phosphorus .....................................22, 161

Register Transfer In .................................................31, 95, 161 Components........................................................11 Transfer Out...............................................31, 93, 161 Mixtures..............................................................11 TS: Total Solids ..............................................23, 161 TSS/TS: Total Suspended Solids....................23, 161

S Turnaround Time.......................................8, 107, 161 SARA 313 ....................................... 25, 146, 153, 160

U Saturation Vapor Pressure ............................... 20, 160 Scheduling............................................................. 101 Unit Operation ............................. 8, 31, 101, 147, 161 Select Mode..................................................... 62, 160 Unit Procedure.........................................................31 Selling Price ............................................ 76, 121, 160 Setup Time .................................................... 102, 160 V Special Components ................................................25 Steam-in-Place................................................. 31, 160 VDS/TDS: Volatile Dissolved Solids.............23, 162

VSS/TSS: Volatile Suspended Solids.............23, 162 Stock Mixtures Database................................. 26, 160 New stock mixtures ............................................28

W Stream Elbow .................................................. 62, 161 Style

Waste Treatment or Disposal Cost ..........23, 122, 162 stream .................................................................84 unit procedure icon .............................................53

X

T

Y Tag Unit procedure....................................................56 Stream.................................................................87 Z Temporary Connect Mode............................... 62, 161

ThOD: Theoretical Oxygen Demand.............. 21, 161

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