CFD modeling of the continuous chemical interaction

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ISSN 1 746-7233, England, UK World Journal of Modelling and Simulation Vol. 7 (2011) No. 3, pp. 189-205 CFD modeling of the continuous chemical interaction between the multiphase flows of the pulp and paper digester using the mass transfer scheme Bijan Pourian * , Erik Dahlquist School of Sustainable Society and Technology Development, M¨ alardalen University, V¨ aster˚ as, Sweden (Received February 14 2010, Accepted March 1 2011) Abstract. This paper describes the construction of a computational fluid dynamics (CFD) code for the phys- ical structure of a pulping reactor and prediction of the continuous chemical reactions inside the digester. Models of chemical interactions between the wood chips and liquor flow in a pulping digester were de- signed using the finite volume method (FVM) in FLUENT. The quality of the produced pulp was computed throughout the reactor from the top inlet to the bottom outlet by modeling the Kappa number, a dimensionless parameter that describes lignin content. A conjugated mass transfer and porous media model was tested for its usefulness in avoiding the effect of granular instability and divergence on the chemical reaction model. Keywords: pulp digester, chemical reaction, Kappa number, mass transfer, Eulerian, CFD 1 Introduction The digester is the site of one of the major chemical processes in a pulp mill. Two flows feed into the digester. Depending on whether they are being considered physically or chemically, they are treated either as phases according to their physical state, i.e. solid or liquid or as chemical substances. Researchers have investigated various aspects of the pulp production unit, such as the structural design, flow regimes, chemical reactions, modeling, optimization and motion of fibers in the digester. Chemical reactions in the digester are performed either continuously or batchwise. The Korsnas digester is a continuous digester, meaning that progress through it is regular and uninterrupted. The digester is essentially a large vertical tank in which wood chips move downward. Woods used in the digester are classified as either hardwoods or softwoods. Hardwoods generally come from broad-leaved deciduous trees from temperate regions, and are porous, i.e. they contain vessel elements. These vessels form an efficient system for transporting water (and essential minerals) from the root to the leaves and other parts of the living tree. Softwood trees are mostly evergreens, nonporous and do not contain vessels. The terms hardwood and softwood do not directly relate to the hardness or softness of the wood. The constituents of wood vary with wood type, but may also vary within a particular wood type. The wood species cannot generally be determined by chemical analysis because its composition depends on factors such as geographic location, soil and weather conditions, and location of the wood within the tree. Typically, wood is made up of 40 to 50% cellulose, 20 to 30% hemicellulose, 20 to 30% lignin and 10% other substances. These other substances include organic compounds such as terpenes, lipids, resin, starch, and protein. Tab. 1 shows typical compositions of wood from three species of tree. In the digester, wood chips are cooked at around 160 ºC. This process dissolves the lignin which binds the cellulose and hemicellulose together and releases the fibers, which have many industrial applications. The wood chips cannot be cooked until they are free of lignin without adversely affecting the yield and strength of the resulting pulp [9] . * Corresponding author. E-mail address: [email protected]. Published by World Academic Press, World Academic Union

Transcript of CFD modeling of the continuous chemical interaction

Page 1: CFD modeling of the continuous chemical interaction

ISSN 1 746-7233, England, UKWorld Journal of Modelling and Simulation

Vol. 7 (2011) No. 3, pp. 189-205

CFD modeling of the continuous chemical interaction between the multiphaseflows of the pulp and paper digester using the mass transfer scheme

Bijan Pourian∗ , Erik Dahlquist

School of Sustainable Society and Technology Development, Malardalen University, Vasteras, Sweden

(Received February 14 2010, Accepted March 1 2011)

Abstract. This paper describes the construction of a computational fluid dynamics (CFD) code for the phys-ical structure of a pulping reactor and prediction of the continuous chemical reactions inside the digester.Models of chemical interactions between the wood chips and liquor flow in a pulping digester were de-signed using the finite volume method (FVM) in FLUENT. The quality of the produced pulp was computedthroughout the reactor from the top inlet to the bottom outlet by modeling the Kappa number, a dimensionlessparameter that describes lignin content. A conjugated mass transfer and porous media model was tested forits usefulness in avoiding the effect of granular instability and divergence on the chemical reaction model.

Keywords: pulp digester, chemical reaction, Kappa number, mass transfer, Eulerian, CFD

1 Introduction

The digester is the site of one of the major chemical processes in a pulp mill. Two flows feed into thedigester. Depending on whether they are being considered physically or chemically, they are treated eitheras phases according to their physical state, i.e. solid or liquid or as chemical substances. Researchers haveinvestigated various aspects of the pulp production unit, such as the structural design, flow regimes, chemicalreactions, modeling, optimization and motion of fibers in the digester. Chemical reactions in the digesterare performed either continuously or batchwise. The Korsnas digester is a continuous digester, meaning thatprogress through it is regular and uninterrupted. The digester is essentially a large vertical tank in which woodchips move downward.

Woods used in the digester are classified as either hardwoods or softwoods. Hardwoods generally comefrom broad-leaved deciduous trees from temperate regions, and are porous, i.e. they contain vessel elements.These vessels form an efficient system for transporting water (and essential minerals) from the root to theleaves and other parts of the living tree. Softwood trees are mostly evergreens, nonporous and do not containvessels. The terms hardwood and softwood do not directly relate to the hardness or softness of the wood.The constituents of wood vary with wood type, but may also vary within a particular wood type. The woodspecies cannot generally be determined by chemical analysis because its composition depends on factors suchas geographic location, soil and weather conditions, and location of the wood within the tree. Typically, woodis made up of 40 to 50% cellulose, 20 to 30% hemicellulose, 20 to 30% lignin and 10% other substances.These other substances include organic compounds such as terpenes, lipids, resin, starch, and protein. Tab. 1shows typical compositions of wood from three species of tree.

In the digester, wood chips are cooked at around 160 ºC. This process dissolves the lignin which bindsthe cellulose and hemicellulose together and releases the fibers, which have many industrial applications. Thewood chips cannot be cooked until they are free of lignin without adversely affecting the yield and strength ofthe resulting pulp[9].

∗ Corresponding author. E-mail address: [email protected].

Published by World Academic Press, World Academic Union

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164 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

Table 1. Composition of wood from three tree species[? ]

Spruce Pine BirchCellulose 42 41 41Hemicellulose 28 28 34Lignin 27 27 21Extractives 3 4 4

The liquor is heated in one or more circulation stages by screens and heat exchangers.The dominant chemical pulping process in Korsnas is called the sulphate or Kraft process. This uses

alkaline cooking liquor with a pH of around 14. This solution is composed of sodium hydroxide (NaOH),sodium sulfide (Na2S), sodium carbonate (Na2CO3), and sodium sulphate (Na2SO4). The composition ofthe solution is varied depending on the operating conditions and the nature of the wood chips.

Wood is a porous material. Between 60 and 70% of its volume is occupied by air, resulting in its char-acteristically low density. The permeability of wood is defined as the flow of liquids through the wood underan applied pressure. This permeability varies due to the highly anisotropic shape and arrangement of thecomponent cells and the variable microscopic channels between cells[4].

The permeability parallel to the grain is 50 to 100 times greater than the permeability perpendicular tothe grain[21].

It is difficult to determine the orientation of the wood chips with respect to their grain as they move downthrough the reactor.

Wood is essentially composed of lignin, cellulose, hemicellulose and minor components that are collec-tively called extractives. Lignin is an amorphous, insoluble organic polymer and is very difficult to isolate in anatural state. Molecular weights of isolated lignin polymers range from the low thousands to around 50,000.

Lignin polymers are made up of different monomers of varying molecular weights.Cellulose. Cellulose is the main component of the wood cell wall, and typically makes up 40 to 50% of

the dry wood by weight. Pure cellulose is a polymer of glucose residues joined by 1, 4 -β- glucosidic bonds.The degree of polymerization (DP) is variable and may range from 700 to 10,000 or more.

Hemicellulose is a mixture of amorphous branched-chain polysaccharides made up of several hundredsugar residues. Hemicelluloses contain many different sugar monomers. These include xylose, mannose,galactose, rhamnose, and arabinose. Hemicellulose contains mostly D-pentose sugars, and may occasionallycontain small amounts of L-sugars.

Extractives and Ash: The amount of extractives in wood varies from 5 to 20% by weight and includes awide variety of organic chemicals[19]. The ash content is 0.2 to 0.5% by weight for temperate woods and 0.5to 2.0% by weight for tropical woods.

Kappa number. The Kappa number is a dimensionless quantity that is used as a measure of the lignincontent of the wood pulp. It is defined as the mass fraction of lignin × 100/0.15).

A large Kappa number indicates high lignin content.The aim of the pulping chemical reaction is to remove as much of the lignin as possible from the wood.

Considerable effort has been expended to predict and manage the chemical reactions of the digester. Vroom[22] modeled the H-factor, and Smith and Williams followed by producing the Purdue model, an approximateddigester model consisting of a number of continuous stirred tank reactors (CSTRs), which accounted for thekinetics of the reaction[20]. Since then, these models have been developed and modified by others. Johansson[8] solved a combination of the mass transfer and reaction kinetics of the differential equations in a wood chipduring the cooking process.

Johansson assumed that the diffusivity in wood was a function of temperature. However, Hartler andOnisko [7] showed that the diffusivity in wood also depends on the pH.

Johansson used a single equation for three reaction stages. Gustafson et al. [5] improved Johansson’smodel and used three kinetic equations for the three stages. They expressed the diffusivity as a function oftemperature, pH and yield.

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 165

Christensen et al. [1] began with a modified Purdue model and incorporated a number of simplifications.They developed the kinetic model for several soft and hard woods. Plug flow was assumed to occur for bothwood chips and the liquor.

Harkonen [6] derived a multiphase flow model to describe the internal pressures, temperatures and veloc-ities of the phases using mass, momentum, and energy differential equations. This model applied the porousmodel to describe the solid phase.

Pu [17] continued the Gustafson project and proposed equations for the degradation of cellulose andhemicellulose.

Natercia et al. [13] ran a steady state operation of a continuous digester with an isothermal cook circula-tion (ITC) and simulated two phases of a heterogeneous digester with a model that adopted 15 state variablesat each axial position of the digester. This model was able to account for the solid content including bothorganic and inorganic materials. It adopted an isothermal condition for the reaction.

Michelsen and Foss [11] combined the approaches of Harkonen and Christensen to make a more detaileddigester model. They modeled the mass flow together with the reaction kinetics for a continuous steam-liquordigester. By solving for compaction and velocity of the chip plug, they attempted to provide a tool to controldelignification.

In subsequent work, Michelsen and Foss [12] attempted to create a model to explain the complex behaviorof the digester, particularly the interaction between the reaction kinetics and the residence time. Kayihan etal. [10] modeled a two-zone digester, i.e. a mixing zone where impregnation takes place, and a reaction zone.Partial differential equations were solved for each zone. It was assumed that the solid and liquid phases werein thermal equilibrium. The adopted kinetic model was the same as the Christensen model.

Wisnewski et al. [23] also extended the Purdue model, approximating the digester as a series of CSTRs,with each CSTR consisting of three phases. This extended model reduced the number of assumptions madein the Purdue model by defining the solid concentrations on a mass per chip volume basis, defining the com-paction as the volume fraction of the CSTRs and the porosity as volume fractions of the wood chips. Chipporosity and liquor density were also defined in this model.

Pougatch and Salcudean [16] implemented a solid tangential stress sub-model which was developed forthe digester. The advantage of this sub-model was that the solid phase behavior reproduced the plug flow ofthe chips and eliminated the adopted non-physical assumptions of the Newtonian approach.

Quak and Benington [18] modeled a single phase liquor flow in a batch laboratory digester using CFD.Olson [14] studied the fibers motion in a turbulent flow. Dong [3] simulated the fibers flow using LES (largeeddy simulation).

Pingle et al. [15] investigated the pulp suspension in the circular pipes. Xie et al. [24] and Cui et al. [2]considered three phases, i.e. gas, liquid and solid, in their examination of the pulp suspension.

In this paper we extend this work by considering factors such as chip quality, variation in the concentra-tion of active ions, and energy balance to describe the temperature distribution in the digester, and by tuningthe model against data from the real plant. This should allow us to consider the effect of reactor geometry,such as the conical side walls on the flow fields and reaction kinetics.

2 Theoretical set up

2.1 Mass percentage of fibers in the wood

Pine wood contains about 41% hemicellulose and 28% cellulose by weight. The total fiber content ofpine wood is therefore about 70%.

2.1.1 Governing equations

Continuity: steady form[25]

∇(ρm~vm) = 0. (1)

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166 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

Drag Force The drag force between the continuous and the dispersed phases is defined as

FDc = Kdc

[Ud − Uc −

(αdUd

αd− αcUc

αc

)]. (2)

However, in these simulations the inertial drag force is imposed by the pore walls on the fluid.Inertial resistance

−cρ

2|~v|~v. (3)

This term is added to the right side of the momentum conservation equation of the phases in the model.However C is not constant throughout the domain because of the anisotropic character of the adopted porousmedia.

Superficial velocity

~vsuperficial = γ~vphysical, (4)

where γ is defined as the ratio of the volume occupied by the fluid to the total volume.Volume fractions The phases in the Euler-Euler multiphase are treated as interpenetrating continua. Trans-

fusion of the phases into each other incorporates the concept of volume fractions, which represent the spaceoccupied by each phase. The volume fraction of phase q, Vq, is defined by

Vq =∫

VαqdV, (5)

where∑n

q=1 αq = 1.Conservation of mass (steady form) The continuity equation for phase q. As the flows reside in a porous

media, a superficial velocity can be assigned, and the conservation equation of mass for a phase is:

∇.(αqρq~vq) =n∑

p=1

(mpq − mqp) + Sq. (6)

2.1.2 Conservation of energy (steady form)

In order to describe the conservation of energy in Eulerian multiphase applications, a separate enthalpyequation can be written for each phase.

∇.(αqρq~uqhq) = α. (7)

Reduced conservation of momentum (laminar & steady state) for a fluid phase q in a porous media iswritten as

∇.(αqρq~vp~vq) = −αq∇p + αqρq~g − αqcρ

2|~v|~v +

n∑p=1

(Kpq(~vp − ~vq) + mpq~vpq − mqp~vqp). (8)

The material density ratio is defined as

γ =ρDispersed phase

ρcarrier phase. (9)

Average distance between the individual particles and particle loading

L

dd=(

π

61 + k

k

) 13

, (10)

k =β

γ. (11)

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 167

Mass transfer

mpq = max[o.λpq]−max[o, λpq]. (12)

Fick’s law

J = ID∂ϕ

∂x. (13)

Diffusive mass flux (mass transfer rate)

~Ji = IρDi,m∇γi. (14)

The continuity equation (steady form) for 2D axisymmetric geometries (mass conservation equation)

∂x(ρvx) +

∂r(ρvr) +

ρvr

r= Sm. (15)

Axial Momentum conservation equation for 2D axisymmetric geometries (steady form)

1r

∂x(rρvxvr) +

1r

∂r(rρvxvr) = −∂p

∂r+

1r

∂x

[rµ

(2∂vx

∂x− 2

3∇.~v

)]+

1r

∂r

[rµ

(∂vx

∂r+

∂vr

∂x

)].

(16)

Reduced radial Momentum equation (steady form)

1r

∂x(rρvxvr) +

1r

∂r(rρvrvr) =

∂p

∂r+

1r

∂x

[rµ

(∂vr

∂x+

∂vx

∂r

)]+

1r

∂r

[rµ

(2∂vr

∂r− 2

3∇.~v

)]− 2µ

vr

r2+

23

µ

r(∇.~v). (17)

3 Modeling set up

The pulping production process is a continuous chemical interaction between a bulk phase (black/whiteliquor) and a dispersed phase (wood chips).

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the outlet pipes of the circulation loops in C8 (wash zone circulation from the lower section), MCC (in the middle section) and ITC (the upper section). The flows recirculate back into the digester separately at three different levels. The central pipe comprises of three concentric pipes. The innermost pipe is the longest and recirculates from C8 into the digester. The diameters of the C8, ITC and MCC inlets are 0.21 m, 0.3 m and 0.425 m respectively. However, the effective diameters of the two outer pipes are reduced because they encircle the smaller inner pipes. The effective diameters are therefore used in the construction of the digester model. The model is designed in Gambit as two axisymmetric sections around the x-axis. The final shape of the digester is obtained by rotation of these sections around the x-axis. The digester is therefore designed in 2D but FLUENT considers the total digester volume of around 1800 m3 and that of the circular central pipe inside the digester.

Figure 1: The pulping digester. The chemical reactions in the Kraft pulping process are highly complex and are in some cases unknown. Simplifying assumptions are therefore unavoidable when designing a mathematical model.

Mixture variables The physical properties in the digester are defined as follows. A constant value is defined for the viscosity of the mixture. The volume weighted mixing law is used to compute the density of the mixture. For increased accuracy the double precision version of FLUENT is used for calculations. Four simulations are performed and an Eulerian multiphase method of the Euler-Euler approach is

applied in order to design the phases, i.e. wood chips and liquor flow. Modeling simplifications and assumptions The hydraulic behavior of the digester, multiple circulations, multiple inlets and outlets, chemical processes, wood constituents and properties, chemical liquor composition, temperatures and pressures are neither persistent nor regular enough for us to define a fixed and global model for the hydraulic and chemical behavior of the pulping process. These conditions require some assumptions and simplifications so that an approximate model of the pulp production process can be established. Our model contains simplifications and assumptions regarding the hydraulic behavior and chemical reactions, partly due to lack of available information about these processes and partly due to limitations and the capacity of the modeling tools. We do not model wood chips as individual physical particles or use the Lagrange model to follow them. This type of model, which considers the whole volume of the digester, including total individual particles and the associated reactions is beyond present capabilities. The reactions of particles are simplified using the mass transfer scheme and Eulerian approach. Wood chips are treated as a continuous phase. The recirculation flows are ignored but the sum of these flows is added to the inlet flow. The circulation flows are heated outside the digester and returned to maintain a constant temperature. In order to take this into consideration, the simulations are run at constant temperature. The calculations are performed for pulping of softwood.

Mass transfer approach The mass transfer mechanism in the frame work of the Eulerian multiphase model in FLUENT is adopted for the pulping process. Pulp quality is predicted by solving the unidirectional mass transfer model, which describes a positive mass flow rate per unit volume from phase p to phase q. The FLUENT multiphase mass transfer code accommodates mass transfer between species belonging to different phases. Instead of a matrix type input, it requires input of multiple mass transfer mechanisms. Each mass transfer mechanism describes the process of mass transfer from one entity to another. An entity is either a particular species in a phase, or the bulk phase itself if the phase does not have a particular species associated with it. The mass transfer process may be specified either through the inbuilt unidirectional "constant-rate" mass transfer or through user-defined functions.

Fig. 1. The pulping digester

A number of simulations were performed to examine and compute the diffusivity and mass transfer rateof the pulping reaction.

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168 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

The process of the pulping chemical reaction and production has many features and therefore severalmodeling approaches may be used to express different aspects of the production.

The mass diffusivity was used as the adjustment variable to obtain a suitable Kappa number distributionwhen simulating the reaction.

There are two approaches for the numerical calculation of multiphase flows: the Euler-Lagrange approachand the Euler-Euler approach.

3.1 Euler-lagrange approach

The Euler-Lagrange approach is a combination of the Euler approach, which solves the Navier stokesequation for the continuous phase and the Lagrange formulation, which tracks the motion of the separateparticles of the dispersed phase in the continuous phase. The fluid phase is considered as a continuum. Thedispersed phase material may be made up of solid particles, liquid droplets or bubbles. The Lagrange formu-lation calculates the trajectory of the dispersed phase at intervals in the continuum.

This method is applicable in cases where the volume fraction of the dispersed phase is below 10%.It is permissible to use heavy particles with high densities, which can lead to the dispersed phase havinghigher mass flow rates than the fluid phase. The Lagrange dispersed phase approach ignores particle-particleinteractions and the effect of the particle volume fraction on the fluid phase.

3.2 Euler-euler approach

This method is not able to track individual particles of the solid phase because it treats the solid particlesas a continuous phase. This is the major assumption of this model, which despite the different physical statesof the phases, treats them both as continua.

Both the bulk flow and the dynamic properties of the dispersed particles in the multiphase flow arepredicted by the Euler formulation. The phases are not totally separated but transfuse into each other. Thevolume fraction therefore has a continuous characteristic. There are three different Euler-Euler multiphaseapproaches: the volume of fluid (VOF) model, the mixture model, and the Eulerian model.

3.3 The eulerian model

Prediction of the multiphase flow behavior with the Eulerian scheme is more complicated than withthe other multiphase approaches. This is partly due to additional equations applied in the model and thecharacteristics of the phases. The phases are treated according to their physical states and the treatment mayvary in complexity. The Eulerian model solves the conservation equations for each phase. Interactions betweenphases are taken into account by calculating the pressure and the inter-phase exchange coefficients Kpq andKls.

3.4 Limitations of the eulerian model

Convergence is the major disadvantage when using the Euler-Euler multiphase flow. The Eulerian modeltreats the phases as a continuum, meaning that solid particles or bubbles are not treated as dispersed particles.The conservation equations are solved for each phase but a single pressure applies for all the phases.

3.5 Comparison of models

Applying the mixture or Eulerian model essentially depends on the characteristics, application, require-ments and our knowledge of the system of the multiphase problem. The Eulerian model is clearly morecomplicated than the mixture model. However despite its computational advantages, the mixture model is notalways preferred in its place. For example, if the properties of the inter-phase are known, the Eulerian modelis recommended because it can be much more accurate. In most other cases the mixture model is adequate andeasier to converge. The Eulerian model is complicated and the calculations may not be stable. This reducesthe accuracy of the results.

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 169

3.6 Structural properties of the digester

The digester is 60 m high and has a diameter of 6 m at the entrance which increases stepwise down thedigester to 7 m at the bottom. A large annular pipe hangs inside the digester. This pipe is connected to theoutlet pipes of the circulation loops in C8 (wash zone circulation from the lower section), MCC (in the middlesection) and ITC (the upper section). The flows recirculate back into the digester separately at three differentlevels. The central pipe comprises of three concentric pipes. The innermost pipe is the longest and recirculatesfrom C8 into the digester. The diameters of the C8, ITC and MCC inlets are 0.21 m, 0.3 m and 0.425 mrespectively. However, the effective diameters of the two outer pipes are reduced because they encircle thesmaller inner pipes. The effective diameters are therefore used in the construction of the digester model. Themodel is designed in Gambit as two axisymmetric sections around the x-axis. The final shape of the digester isobtained by rotation of these sections around the x-axis. The digester is therefore designed in 2D but FLUENTconsiders the total digester volume of around 1800 m3 and that of the circular central pipe inside the digester.

The chemical reactions in the Kraft pulping process are highly complex and are in some cases unknown.Simplifying assumptions are therefore unavoidable when designing a mathematical model.

3.7 Mixture variables

The physical properties in the digester are defined as follows. A constant value is defined for the viscosityof the mixture. The volume weighted mixing law is used to compute the density of the mixture. For increasedaccuracy the double precision version of FLUENT is used for calculations.

Four simulations are performed and an Eulerian multiphase method of the Euler-Euler approach is ap-plied in order to design the phases, i.e. wood chips and liquor flow.

3.8 Modeling simplifications and assumptions

The hydraulic behavior of the digester, multiple circulations, multiple inlets and outlets, chemical pro-cesses, wood constituents and properties, chemical liquor composition, temperatures and pressures are neitherpersistent nor regular enough for us to define a fixed and global model for the hydraulic and chemical behaviorof the pulping process. These conditions require some assumptions and simplifications so that an approximatemodel of the pulp production process can be established. Our model contains simplifications and assumptionsregarding the hydraulic behavior and chemical reactions, partly due to lack of available information aboutthese processes and partly due to limitations and the capacity of the modeling tools. We do not model woodchips as individual physical particles or use the Lagrange model to follow them. This type of model, whichconsiders the whole volume of the digester, including total individual particles and the associated reactionsis beyond present capabilities. The reactions of particles are simplified using the mass transfer scheme andEulerian approach. Wood chips are treated as a continuous phase. The recirculation flows are ignored but thesum of these flows is added to the inlet flow. The circulation flows are heated outside the digester and returnedto maintain a constant temperature. In order to take this into consideration, the simulations are run at constanttemperature. The calculations are performed for pulping of softwood.

3.9 Mass transfer approach

The mass transfer mechanism in the frame work of the Eulerian multiphase model in FLUENT is adoptedfor the pulping process. Pulp quality is predicted by solving the unidirectional mass transfer model, whichdescribes a positive mass flow rate per unit volume from phase p to phase q.

The FLUENT multiphase mass transfer code accommodates mass transfer between species belonging todifferent phases. Instead of a matrix type input, it requires input of multiple mass transfer mechanisms. Eachmass transfer mechanism describes the process of mass transfer from one entity to another. An entity is eithera particular species in a phase, or the bulk phase itself if the phase does not have a particular species associatedwith it. The mass transfer process may be specified either through the inbuilt unidirectional “constant-rate”mass transfer or through user-defined functions.

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170 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

InPres

s

12 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

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Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 2. Distribution of Kappa number from top to bottomin the digester-R11-D0.288

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Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 3. Contour plot of Kappa number R12-D0.00288

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Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 4. Contour plot of Kappa number-R5-D0.000288

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Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 5. Contour plot of Kappa number-R13-D0.000288

Figs. 2, 10 and 6 show a large decrease in Kappa number and lignin content of the wood chips in theupper levels of the reactor, indicating an intensive cooking process at those levels.

Figs. 5, 13 and 9 show little release of lignin from the wood pulp in the upper levels of the digester,whereas the more abrupt change of gradient in Graph 8 shows that lignin dissolves more rapidly in lowersections of the digester.

Figs. 3, 11 and 7 show more even and gradual cooking throughout the reactor.

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Fig. 2. Distribution of kappa number from top to bot-tom in the digester-r11-d0.288

InPres

s

12 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

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Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 2. Distribution of Kappa number from top to bottomin the digester-R11-D0.288

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Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 3. Contour plot of Kappa number R12-D0.00288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 4. Contour plot of Kappa number-R5-D0.000288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 5. Contour plot of Kappa number-R13-D0.000288

Figs. 2, 10 and 6 show a large decrease in Kappa number and lignin content of the wood chips in theupper levels of the reactor, indicating an intensive cooking process at those levels.

Figs. 5, 13 and 9 show little release of lignin from the wood pulp in the upper levels of the digester,whereas the more abrupt change of gradient in Graph 8 shows that lignin dissolves more rapidly in lowersections of the digester.

Figs. 3, 11 and 7 show more even and gradual cooking throughout the reactor.

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Fig. 3. Contour plot of kappa number r12-d0.00288

InPres

s

12 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 2. Distribution of Kappa number from top to bottomin the digester-R11-D0.288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 3. Contour plot of Kappa number R12-D0.00288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 4. Contour plot of Kappa number-R5-D0.000288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 5. Contour plot of Kappa number-R13-D0.000288

Figs. 2, 10 and 6 show a large decrease in Kappa number and lignin content of the wood chips in theupper levels of the reactor, indicating an intensive cooking process at those levels.

Figs. 5, 13 and 9 show little release of lignin from the wood pulp in the upper levels of the digester,whereas the more abrupt change of gradient in Graph 8 shows that lignin dissolves more rapidly in lowersections of the digester.

Figs. 3, 11 and 7 show more even and gradual cooking throughout the reactor.

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Fig. 4. Contour plot of kappa number-r5-d0.000288

InPres

s

12 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 2. Distribution of Kappa number from top to bottomin the digester-R11-D0.288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 3. Contour plot of Kappa number R12-D0.00288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 4. Contour plot of Kappa number-R5-D0.000288

8

Figure 2: Distribution of Kappa number in the digester from top to bottom –R11-D0.288

Figure 3: Contour plots of Kappa number R12-D0.00288

Figure 4: Contour plots of Kappa number-R5-D0.000288

Figure 5: Contour plots of Kappa number –R13-D0.000288

Fig. 5. Contour plot of Kappa number-R13-D0.000288

Figs. 2, 10 and 6 show a large decrease in Kappa number and lignin content of the wood chips in theupper levels of the reactor, indicating an intensive cooking process at those levels.

Figs. 5, 13 and 9 show little release of lignin from the wood pulp in the upper levels of the digester,whereas the more abrupt change of gradient in Graph 8 shows that lignin dissolves more rapidly in lowersections of the digester.

Figs. 3, 11 and 7 show more even and gradual cooking throughout the reactor.

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Fig. 5. Contour plot of kappa number-r13-d0.000288

The interaction between groups of species is also defined. The lignin is associated with the wood chipsat the beginning of the process and moves from the solid to the liquid phase during exposure to the cookingliquor. The mass transfer rate is homogeneous. The diffusivity of the liquor is also significant in determiningthe mass transfer rate, conversion, and quality of the produced pulp through the digester.

3.10 Mass transfer conjugated with porous media

A combination of the Eulerian mass transfer approach with the species transport scheme and porousmedia can be used to predict the flow behavior when modeling of both solid and liquid phases is required.Use of the porous media model can eliminate complications such as modeling instability and divergence that

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 171

arise from the granular method. A non-constant and variable porosity is defined throughout the digester torepresent the compressibility of the chips and pulp zones. Two porous models are available, viscous resistanceand inertial resistance. Inertial resistance is used here. The porous model contributes to slowing the flows in thedigester. When lignin dissolves and moves from phase 1 to phase 2, softening of phase 1 causes a momentumchange in the flows. A decreasing porosity is therefore defined in the model.

Figure 3: D0.00288

Figure 4: D0.00028

Contour plots8

Contour plots88

s of Kappa nu

s of Kappa nu

umber R12-

umber-R5-

FiD

G

G

igure 5: Conto0.000288

raph 1: Kappa

raph 2: Kappa

our plots of Ka

a number – R

a number – R

appa number

11-D0.288

12- D0.00288

8

–R13-

8

Fig. 6. Kappa number-r11-d0.288

Figure 3: D0.00288

Figure 4: D0.00028

Contour plots8

Contour plots88

s of Kappa nu

s of Kappa nu

umber R12-

umber-R5-

FiD

G

G

igure 5: Conto0.000288

raph 1: Kappa

raph 2: Kappa

our plots of Ka

a number – R

a number – R

appa number

11-D0.288

12- D0.00288

8

–R13-

8

Fig. 7. Kappa number-r12-d0.00288

The mass transfer model is applied for the transfer of lignin from phase 1 to phase 2. The two mainparameters in this model are diffusivity and mass flux (mass transfer rate).

The resistance of the solid chip phase with variable compressibility to expansion and compression canbe represented by assigning a bulk viscosity. This can be modeled as a porous media. However, defining theseproperties using other CFD strategies incurs far higher computational cost.

4 Grid independence and validity

The outlets, extractions and amounts of the circulation flows are obtained from simulation of the digesterby adjustment of the pressures. The results of the simulations agree well with the operation values from theKorsnas process data base. The simulations are performed with three different types of meshes with differentnumbers of cells to represent the geometry of the actual digester described above. Models were built withmeshes made up of 16000 or 55776 triangular cells, or with 21000 quadrilateral cell meshes for one half ofthe digester i.e. 60m×3m. The other half of the digester is axisymmetric and is computed by FLUENT. Thereis no difference between results using 56000 triangles and 21000 quadrilaterals, but the intermediate meshmade up of 16000 triangular cells does not agree well with the other results. The lignin contents at outlets arehigher in this simulation compared to those that use more cells. We conclude that the mesh of 16000 trianglesis unable to provide sufficiently accurate results. Results of tests using even larger numbers of cells are verysimilar to those that use either 56000 or 21000 cells.

A homogeneous mesh is used in all cases, i.e. the mesh size is constant in all directions. The mesh sizeis 1 cell/5 cm in all directions.

5 Discretization, boundary conditions and setup

As the digester of the Korsnas/Vallvik pulping plant is a vertical cylinder, the geometry in the model isconstructed from an axisymmetric two dimensional scale model. Unlike two dimensional symmetric models,this axisymmetric model can take the total volume of the reactor into account.

Discretization, see Tab. 2.Model setups, , see Tab. 3.

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172 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

Table 2. Discretization formulationsDiscretization

Momentum second orderVolume fraction first orderEnergy second orderPhase 2 second orderPressure velocity coupling phase coupled simple

Table 3. The applied models

DiscretizationSolver implicitGradient option Green—Gauss cell basedPorous formulation superficial velocityVelocity formulation absolute velocityFormulation implicitSpecies transport model activated—no reactionEnergy activated

Inlet boundary Velocity inlet, Mixture: no active option.Phase1: Thermal: T = 430K, velocity specification method: magnitude normal to boundary, 0.3m/s,

no other active option for species or multiphase.Phase 2: 50 percent, T = 430K, velocity specification method: magnitude normal to boundary, 0.1m/s,

species: lignin, species mass fraction= 0.3.The Schiller-Naumann formulation is adopted to solve for the drag force in the mixture mode.

9

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Fig. 8. Kappa number-r5-d0.000288

9

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Fig. 9. Kappa number r13-d0.000288

Operating conditions

Table 4. Operating conditions

Operating conditionsGravitational acceleration 9.8m/s2 at X directionOperating temperature 430 K

Table 5. Variables of simulationsMass diffusivity Mass transfer rate porosity Abbreviations of simulations0.288 2.00E-11 0.55-0.15 R-11-0.2880.00288 1.70E-12 0.65-0.25 R12-D0.002880.000288 8.20E-05 0.5-0.1 R5-D0.0002880.000288 8.20E-13 0.5-0.1 R13-D0.000288

6 Results

A number of simulations are performed to evaluate the distribution of pulp produced in the reactor.The simulations are performed to examine the effect of the specified mass diffusivity, mass transfer rate andporosity.

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 173

7 Discussion

A number of simulations were performed to evaluate the pulp production rate in the reactor. Three essen-tial variables were examined and other variables and boundary conditions were held constant.

The mass transfer rate was calculated by analysis according to the rate of pulp production and for woodpieces of size 2× 2× 1cm.

Figs. 2∼ 5 and Figs. 6∼ 9 show the Kappa number of the pulp in the digester under different simulationconditions. Figs. 6 ∼ 9 indicate differences in the lignin dissolution process in terms of Kappa number. Theinlet chips contain around 20% lignin and 10% extractives. The pulp at the outlet of the reactor containsaround 3% lignin. The Kappa number corresponding to pulp containing 3-4% lignin at the outlet is around 24.The simulations show how cooking develops at different levels of the digester. The mass fraction of lignin inthe pulp is shown in Figs. 10 ∼ 13. These figures show that lignin made up around 30% of the mass of woodchips at the top of the digester, and around 3% of the mass of the pulp at the bottom outlet.In

Press

World Journal of Modelling and Simulation, Vol. X (XXXX) No. X, pp. 3-19 13

Figure 3: D0.00288

Figure 4: D0.00028

Contour plots8

Contour plots88

s of Kappa nu

s of Kappa nu

umber R12-

umber-R5-

FiD

G

G

igure 5: Conto0.000288

raph 1: Kappa

raph 2: Kappa

our plots of Ka

a number – R

a number – R

appa number

11-D0.288

12- D0.00288

8

–R13-

8

Fig. 6. Kappa number-R11-D0.288

Figure 3: D0.00288

Figure 4: D0.00028

Contour plots8

Contour plots88

s of Kappa nu

s of Kappa nu

umber R12-

umber-R5-

FiD

G

G

igure 5: Conto0.000288

raph 1: Kappa

raph 2: Kappa

our plots of Ka

a number – R

a number – R

appa number

11-D0.288

12- D0.00288

8

–R13-

8

Fig. 7. Kappa number-R12-D0.00288

9

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Fig. 8. Kappa number-R5-D0.000288

9

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Fig. 9. Kappa number R13-D0.000288

9

Graph 1: Kappa number – R11-D0.288

Graph 2: Kappa number – R12- D0.00288

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Fig. 10. Distribution of mass fraction of lignin in the pulpR11-D0.288

10

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Fig. 11. Mass fraction of lignin in the pulp R12-D0.00288

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Fig. 10. Distribution of mass fraction of lignin in the pulpr11-d0.288

InPres

s

World Journal of Modelling and Simulation, Vol. X (XXXX) No. X, pp. 3-19 13

Figure 3: D0.00288

Figure 4: D0.00028

Contour plots8

Contour plots88

s of Kappa nu

s of Kappa nu

umber R12-

umber-R5-

FiD

G

G

igure 5: Conto0.000288

raph 1: Kappa

raph 2: Kappa

our plots of Ka

a number – R

a number – R

appa number

11-D0.288

12- D0.00288

8

–R13-

8

Fig. 6. Kappa number-R11-D0.288

Figure 3: D0.00288

Figure 4: D0.00028

Contour plots8

Contour plots88

s of Kappa nu

s of Kappa nu

umber R12-

umber-R5-

FiD

G

G

igure 5: Conto0.000288

raph 1: Kappa

raph 2: Kappa

our plots of Ka

a number – R

a number – R

appa number

11-D0.288

12- D0.00288

8

–R13-

8

Fig. 7. Kappa number-R12-D0.00288

9

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Fig. 8. Kappa number-R5-D0.000288

9

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Fig. 9. Kappa number R13-D0.000288

9

Graph 1: Kappa number – R11-D0.288

Graph 2: Kappa number – R12- D0.00288

Graph 3: Kappa number – R5-D0.000288

Graph 4: Kappa number R13-D0.000288

Figure 6: Distribution of the mass fraction of the lignin in the pulp R11-D0.288

Fig. 10. Distribution of mass fraction of lignin in the pulpR11-D0.288

10

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Fig. 11. Mass fraction of lignin in the pulp R12-D0.00288

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Fig. 11. Mass fraction of lignin in the pulp r12-d0.00288

Figs. 2, 10 and 6 show a large decrease in Kappa number and lignin content of the wood chips in theupper levels of the reactor, indicating an intensive cooking process at those levels.

Figs. 5, 13 and 9 show little release of lignin from the wood pulp in the upper levels of the digester,whereas the more abrupt change of gradient in Graph 8 shows that lignin dissolves more rapidly in lowersections of the digester.

Figs. 3, 11 and 7 show more even and gradual cooking throughout the reactor.Figs. 4, 4, 12 and 8 show that there is less cooking around the centre pipe than away from the pipe walls

in the upper levels of the reactor. Fig. 8 is wider in the upper sections, which may indicate different cookingrates across the horizontal plane.

Figs. 5 ∼ 12 show the mass fraction of fibers in the digester. The wood chips at the top of the digestercontain around 70% fibers and 30% lignin and extractives by mass. The fiber content of the pulp is differentlydistributed in these figures, showing the differences in the progress of the cooking reactions.

The lignin content drops faster in the first 10 m of the digester in simulation R11-D0.288 (Figs. 2, 10,6 and 14) compared to other 3 simulations. The lignin dissolution is slowest in the last 10 m of digester insimulation R11-D0.288. This simulation results in 3 different reaction rates in the digester.

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174 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

Contours of Mass fraction of r6 (phase-2) FLUENT 6.3 (axi, dp, pbns, eulerian, spe, lam)

Jun 15, 2011

3.00e-012.89e-012.82e-012.74e-012.66e-012.58e-012.50e-012.42e-012.34e-012.26e-012.18e-012.10e-012.02e-011.94e-011.86e-011.78e-011.71e-011.63e-011.55e-011.47e-011.39e-011.31e-011.23e-011.15e-011.07e-019.92e-029.13e-028.34e-027.54e-026.75e-025.96e-025.17e-024.37e-023.58e-02

Fig. 12. Mass fraction of lignin in the pulp r5-d0.000288

InPres

s

14 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

Contours of Mass fraction of r6 (phase-2) FLUENT 6.3 (axi, dp, pbns, eulerian, spe, lam)

Jun 15, 2011

3.00e-012.89e-012.82e-012.74e-012.66e-012.58e-012.50e-012.42e-012.34e-012.26e-012.18e-012.10e-012.02e-011.94e-011.86e-011.78e-011.71e-011.63e-011.55e-011.47e-011.39e-011.31e-011.23e-011.15e-011.07e-019.92e-029.13e-028.34e-027.54e-026.75e-025.96e-025.17e-024.37e-023.58e-02

Fig. 12. Mass fraction of lignin in the pulp R5-D0.000288

10

Figure 7: Mass fraction of lignin in the pulp R12-D0.00288

Figure 8: Mass fraction of lignin in the pulp R5-D0.000288

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Fig. 13. Mass fraction of lignin in the pulp R13-D0.000288

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 14. Mass fraction of fibers in the pulp R11-0.288

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 15. Mass fraction of fibers in the pulp R12-D0.00288

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 16. Mass fraction of fibers in the pulp R5-D0.000288

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 17. Mass fraction of fibers in the pulp R13-D0.000288

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Fig. 13. Mass fraction of lignin in the pulp r13-d0.000288

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 14. Mass fraction of fibers in the pulp r11-0.288

In the second simulation (R12- D0.00288) the reaction rate changes more frequently, with a shift every10 to 20 m down the digester (Figs. 3, 11, 7 and 15). The rate falls in the last 10 m of the digester.

The third simulation (R5-D0.000288) also results in fluctuations in reaction rate with height in the di-gester (Figs. 4, 12, 8 and 16). The progress of the reaction is also heterogeneous in the horizontal plane. Themass fraction of lignin increases from the walls to the center of the digester.

Simulation R13-D0.000288 shows a more homogeneous reaction rate which varies less in the horizontalplane (Figs. 5, 13, 9 and 17). The resulting curves are less wide compared to those from Simulation R5-

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 175

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 15. Mass fraction of fibers in the pulp r12-d0.00288

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 16. Mass fraction of fibers in the pulp r5-d0.000288

D0.000288. Simulations R13-D0.000288 and R5-D0.000288 are run with the same low mass diffusivity, butthe latter uses a lower mass transfer rate. Therefore it is not surprising that the lignin dissolution is delayed inthe latter simulation.

7.1 Validation and comparison of the kappa number results from mass transfer scheme simulations

The simulations were compared to experimental results. Experimental data are only available at the top(inlet) and bottom (outlet) of the digester. The product at the bottom of the digester contained about 3% ligninand 97% fibers. This corresponds to a Kappa number of around 24. The simulations agree well with thesevalues. Kappa numbers at the bottom of the digester are 23.6, 24.8, 24.6 and 23.7 for the different simulations(Figs. 2 sim 5 respectively).

The mass fraction of the pulp product is between 3 and 4% according to the experimental results, andagrees well with the simulation results. The simulations gave the following values for lignin content of theproduct: 3.54%, 3.72%, 3.58% and 3.55% (Figs. 10 ∼ 13). These values show very close agreement betweenthe simulations and the experimental data.

The simulations differ in the gradients or distributions of fibers and lignin in the digester. The lignindissolution predicted by the Purdue, Gustafson, and Andersson models is shown in Fig. 18.

We compared our FVM Mass transfer scheme simulations with these models by calculating the lignincontents of the wood chips in our simulations at 13 vertical points in the digester. The velocity distribution ofthe secondary phase is shown in Fig. 19.

The Area-Weighted Average Velocity through the digester is also included.Area weighted average velocity = 0.0034m/s. The residence time of the wood chips was estimated

based on the Area-Weighted Average Velocity and total height of the digester.

7.2 Residence time

60m/0.0034m/s = 17647s ≈ 4.9h.The time taken by the chips to reach the 13 selected vertical points in our models was calculated based

on the height and average velocity of wood chips and the lignin content was compared to the lignin contentat the corresponding times in the Purdue, Gustafson and Andersson models. Fig. 20 shows the comparison ofthe Mass transfer scheme simulations with the Purdue, Gustafson, and Andersson models.

The lignin contents are expressed in terms of Kappa number in Fig. 20. The simulations predict thevariation of Kappa number with height in the digester, but as the flow is continuous the Kappa number at anyheight can be expressed in terms of the time taken by the chips to reach that height.

The Andersson model predicts much faster cooking reactions than the other models. Simulation R11-D0.288 fits the Purdue and Gustafson models after about 120 min.

Simulation R5-D0.000288 also agrees well with the Purdue and Gustafson models. This simulation wasperformed for wood pieces of size about 2 × 2 × 1cm. The essence of the FVM is the solution of the con-servation equations of mass, momentum and energy, including the chemical reactions in every finite volume

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176 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

10

Figure 9: Mass fraction of lignin in the pulp R13-D0.000288

Graph 5: Mass fraction of fibers in the pulp R11- 0.288

Graph 6: Mass fraction of fibers in the pulp R12- D0.00288

Graph 7: Mass fraction of fibers in the pulp R5- D0.000288

Graph 8: Mass fraction of fibers in the pulp R13- D0.000288

8. Discussion   A number of simulations were performed to evaluate the pulp production rate in the reactor. For this purpose three essential variables were examined and other variables and boundary conditions are held constant. Mass diffusivity

Mass transfer rate

porosity Abbreviations of simulations

0.288 2.0E-11 0.55-0.15 R-11- 0.288

0.00288 1.7E-12 0.65-0.25 R12- D0.00288

0.000288 8.2E-05 0.5-0.1 R5- D0.000288

0.000288 8.2E-13 0.5-0.1 R13- D0.000288

Table 5: Variables of simulations

Fig. 17. Mass fraction of fibers in the pulp r13-d0.000288

The simdistributio

The lignGustafsonnext grap

Graph 9: Kraft coo

In orderschemes computedterms of vertical distributionext figur

Figure 10The Areadigester i

Area wei

mulations revons of the fibe

in dissolutionn, and Ander

ph.

Lignin contenoking models L

r to comparesimulations

d the lignin cf lignin perce

points of ton of the secore.

0: Contours ofa-Weighted Ais also accoun

ghted average

veal differenters and lignin

n accounted sson models

nt calculated bLaaksoo (200

e our FVM with 3 abo

content of theent in our simthe digester. ondary phase

f Velocity of wAverage Veloc

ted.

e velocity = 0.

t gradients in the digeste

by the Purduis shown in t

by different 8)

Mass transove models we wood chips mulations at

The velocis shown in t

wood chips city through t

.0034 m/s

or er.

ue, the

fer we in 13

city the

the

Thbato

Re60

Th13caoftoGcow

Gmm

LiKprdicoexha

ThAtraPu

SicltraanThcoenfinth

he residence tased on the Arotal height of t

esidence time:0 m/0.0034 m/

he time at wh3 selected valculated (basef wood chips)o correspondustafson, and

ompares the ith the Purdue

raph 10: Commodels with Pumodels

ignin percentsKappa numbe

redicted fromifferent heighontinuous thenxpressed in teave spent to re

he cooking ndersson modansfer schemurdue and Gus

imulation graose to the Puansfer rate nalytically. he essence oonservation energy includinnite volume o

he CSTR met

time of the wrea- Weightedthe digester.

: /s = 17647 s ≈

hich the chipsvertical pointed on the heig) and the lign

ding time wd Andersson m

Mass transfee, Gustafson, a

mparison of maurdue, Gustafs

s of graph 9 arer in graph m simulationht of digester n the Kappa nerms of the tieach any heigh

reactions aredel than the o

me simulationsstafson model

aph of R5-D0urdue and Gufor this sim

of the FVM equations of ng the chemiof the reactorhod, the FVM

wood chips is d Average Ve

≈ 4.9 h

s spent to reats in our m

ght and averagnin percent is with the Purmodels. The ner scheme siand Andersso

ass transfer simson and Ander

re expressed i10. Kappa

ns are accobut since th

number at anyime in which ht of digester.

e much fasteothers. One ofs (R11-D0.28l after about 1

0.000288 is ustafson mod

mulation is

is the solutiomass, momenical reactionsrs. FurthermoM provides a

12

estimated elocity and

ach any of models is ge velocity compared rdue and

next graph imulations n models.

mulation rsson

n terms of numbers

ounted at he flow is y height is

the chips

er in the f the mass 88) fit the 20 min.

also very dels. Mass accounted

on of the ntum and

s in every ore, unlike a powerful

Fig. 18. Lignin content calculated by different kraft cookingmodels laaksoo (2008)

Fig. 19. Contours of wood chip velocity

element in the reactor. Unlike the CSTR method, the FVM provides powerful and meaningful graphics, ani-mations and reports that make it easy to convey the results of the CFD calculations.

8 Conclusions

FVM was used to mathematically model the flow behaviour, chemical reactions and pulp quality in apulping digester under steady state conditions.

The digester was represented as a two dimensional axisymmetric model that takes its total volume intoaccount. We demonstrated that this approach was able to model the conditions in the pulping process. Theperformance of the mass transfer multiphase strategy indicates that it is useful for simulation of the pulpingchemical reaction.

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World Journal of Modelling and Simulation, Vol. 7 (2011) No. 3, pp. 189-205 177

The simdistributio

The lignGustafsonnext grap

Graph 9: Kraft coo

In orderschemes computedterms of vertical distributionext figur

Figure 10The Areadigester i

Area wei

mulations revons of the fibe

in dissolutionn, and Ander

ph.

Lignin contenoking models L

r to comparesimulations

d the lignin cf lignin perce

points of ton of the secore.

0: Contours ofa-Weighted Ais also accoun

ghted average

veal differenters and lignin

n accounted sson models

nt calculated bLaaksoo (200

e our FVM with 3 abo

content of theent in our simthe digester. ondary phase

f Velocity of wAverage Veloc

ted.

e velocity = 0.

t gradients in the digeste

by the Purduis shown in t

by different 8)

Mass transove models we wood chips mulations at

The velocis shown in t

wood chips city through t

.0034 m/s

or er.

ue, the

fer we in 13

city the

the

Thbato

Re60

Th13caoftoGcow

Gmm

LiKprdicoexha

ThAtraPu

SicltraanThcoenfinth

he residence tased on the Arotal height of t

esidence time:0 m/0.0034 m/

he time at wh3 selected valculated (basef wood chips)o correspondustafson, and

ompares the ith the Purdue

raph 10: Commodels with Pumodels

ignin percentsKappa numbe

redicted fromifferent heighontinuous thenxpressed in teave spent to re

he cooking ndersson modansfer schemurdue and Gus

imulation graose to the Puansfer rate nalytically. he essence oonservation energy includinnite volume o

he CSTR met

time of the wrea- Weightedthe digester.

: /s = 17647 s ≈

hich the chipsvertical pointed on the heig) and the lign

ding time wd Andersson m

Mass transfee, Gustafson, a

mparison of maurdue, Gustafs

s of graph 9 arer in graph m simulationht of digester n the Kappa nerms of the tieach any heigh

reactions aredel than the o

me simulationsstafson model

aph of R5-D0urdue and Gufor this sim

of the FVM equations of ng the chemiof the reactorhod, the FVM

wood chips is d Average Ve

≈ 4.9 h

s spent to reats in our m

ght and averagnin percent is with the Purmodels. The ner scheme siand Andersso

ass transfer simson and Ander

re expressed i10. Kappa

ns are accobut since th

number at anyime in which ht of digester.

e much fasteothers. One ofs (R11-D0.28l after about 1

0.000288 is ustafson mod

mulation is

is the solutiomass, momenical reactionsrs. FurthermoM provides a

12

estimated elocity and

ach any of models is ge velocity compared rdue and

next graph imulations n models.

mulation rsson

n terms of numbers

ounted at he flow is y height is

the chips

er in the f the mass 88) fit the 20 min.

also very dels. Mass accounted

on of the ntum and

s in every ore, unlike a powerful

Fig. 20. Comparison of mass transfer simulation models with purdue, gustafson and andersson models

Pulp quality was predicted by prediction of the Kappa number which was defined in the Custom FieldFunction panel.

The results indicate that a combination of the multiphase model, species transport, mass transfer andporous model can predict the pulping chemical reactions inside the digester. This system can also provide agood prediction of the pulp quality. Application of this model is expected to help researchers and operators ofthe pulping mill to improve their knowledge of the pulping reactions and help in devising new and improvedstrategies to control the pulping process.

9 Future work

Disturbances and other faults in the pulping process can lower the quality of the pulp product. It maybe possible to simulate these phenomena and predict the effects they have on events inside the digester usingthese approaches.

10 Nomenclature

d Diameter (m); ~qq Number of phases;dp Particle diameter (m); Qpq Particle diameter (m);C2 Inertial factor; r Diameter (m);D Diffusion coefficient or mass diffusivity m2/s; Sq Particle diameter (m);Di,m iffusion coefficient for species i in the mixture; Sm Particle diameter (m);~F Body force (N); t Diameter (m);~Fx Axial forces (N); ~vm Particle diameter (m);~FD Drag force (N); ~vpq Particle diameter (m);~FV m,q Virtual mass force (N); ~vq Diameter (m);~Fq External body force (N); ~vp Particle diameter (m);

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178 B. Pourian & E. Dahlquist: CFD modeling of the continuous chemical interaction

~Flift,q Lift force; ~vr Particle diameter (m);g Gravitational acceleration (m/s2); ~vs Diameter (m);hq Specific enthalpy of phase qth; r Particle diameter (m);hqp Inter-phase enthalpy; γ Particle diameter (m);hpq Inter-phase enthalpy; γi Diameter (m);I Unit tensor; α Particle diameter (m);J Diffusive mass flux kg/m2s; αk Particle diameter (m);~Ji Diffusion flux of species i; αq Particle diameter (m);Kpq Momentum exchange coefficient at interface; αs Particle diameter (m;L Distance between particles; ρm Diameter (m);m Mass flow rate (kg/s); ρq Particle diameter (m);mpq Mass transfer from pth to qth phase; ¯τq Particle diameter (m);mqp Mass transfer from phase q to Phase p; µ Particle diameter (m);∇p Particle diameter (m); µq Particle diameter (m);n Pressure gradient; µm Diameter (m);λq Particle diameter (m); φls Particle diameter (m).

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