INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING

&

EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING

12TH

25TH

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Edited by

Krist V. Gernaey, Jakob K. Huusom and Rafiqul Gani

Department of Chemical and Biochemical Engineering Technical University of Denmark DK-2800 Lyngby, Denmark

PART B

COMPUTER-AIDED CHEMICAL ENGINEERING, 37

INTERNATIONAL SYMPOSIUM ON PROCESS SYSTEMS ENGINEERING AND

EUROPEAN SYMPOSIUM ON COMPUTER AIDED PROCESS ENGINEERING

25TH

12TH

Elsevier Radarweg 29, PO Box 211, 1000 AE Amsterdam, The Netherlands The Boulevard, Langford Lane, Kidlington, Oxford OX5 1B, UK

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Contents

Contributed Papers T-3: Cyber-Infrastructure, Informatics and Intelligent SystemsLife cycle simulation for a process plant based on a two-dimensionalco-simulation approachMathias Oppelt, Gerrit Wolf, Leon Urbas 935On the process of building a process systems engineering ontology using a semi-automatic construction approachCanan Dombayci, Javier Farreres, Horacio Rodríguez, Edrisi Muñoz,Elisabet Capón-García, Antonio Espuña, Moisès Graells 941Graphical processing unit (GPU) accelerated solution of multi-dimensional population balances using high resolution finite volume algorithmBotond Szilagyi, Zoltan K. Nagy 947Development of computer aided modelling templates for model re-usein chemical and biochemical process and product design: import and export of modelsMarina Fedorova, Gregor Tolksdorf, Sandra Fillinger, Günter Wozny,Mauricio Sales-Cruz, Gürkan Sin, Rafiqul Gani 953BiOnto: An Ontology for biomass and biorefining technologiesNikolaos Trokanas, Madeleine Bussemaker, Eirini Velliou, Hella Tokos, Franjo Cecelja 959Linking process, electrical and logical connectivity for supported fault diagnosisDavid Dorantes Romero, Tone-Grete Graven, Nina F. Thornhill 965An interactive framework for building and analysing models of urban energy systemsK. Kuriyan 971Model-based analysis of waste management systems through a natural language approachVassilis Magioglou, Elisabet Capon-García, Sara Badr, Antonis Kokossis 977

vi Contents

Enterprise-wide scheduling framework supported by knowledge managementElisabet Capón-García, Edrisi Muñoz, José M. Laínez-Aguirre,Antonio Espuña, Luis Puigjaner 983Knowledge management to support the integration of scheduling and supply chain planning using Lagrangian decompositionEdrisi Muñoz, Elisabet Capón-García, Jose M. Laínez-Aguirre,Antonio Espuña, Luis Puigjaner 989An ontological approach to integration of planning and scheduling activities in batch process industriesMarcela Vegetti, Gabriela Henning 995Constructing an ontology for physical-chemical processesHeinz A Preisig 1001Contributed Papers T-4: Process and Product Synthesis-DesignImproved design strategies for flexible hydrogen networksChuei-Tin Chang, Che-Chi Kuo 1007An integrated reactive distillation process for biodiesel productionEduardo S. Perez-Cisneros, Ricardo Morales-Rodriguez, Mauricio Sales-Cruz, Tomás Viveros-García, Ricardo Lobo-Oehmichen 1013A sequential algorithm for the rigorous design of thermally coupled distillation sequencesJosé A. Caballero, Juan A. Reyes-Labarta, Ignacio E. Grossmann 1019Discovery of new zeolites for H2S removal through multi-scalesystems engineeringTingting Liu, Eric L. First, M. M. Faruque Hasan, Christodoulos A. Floudas 1025Optimization of a fusel oil separation system using a dividing wall columnJosé de Jesús Mendoza – Pedroza, Juan Gabriel Segovia – Hernández, Álvaro Orjuela – Londoño, Salvador Hernández 1031Silane production through reactive distillation with intermediate condensersJ. Rafael Alcántara – Avila, Hugo Alberto Sillas – Delgado, Juan Gabriel Segovia – Hernández, Fernando I. Gómez – Castro, Jorge A. Cervantes - Jauregui 1037Optimal production of furfural and DMF from algae and switchgrassMariano Martín, Ignacio E. Grossmann 1043CO2 as feedstock: A new pathway to syngasFlavio Manenti 1049

Contents vii

Design and optimization of intensified non-sharp distillation configurationsC. E. Torres Ortega, K. Stricker, M. Errico, B.-G. Rong 1055Deterministic global optimization of multistage melt crystallization processes in hydroformylationChristian Kunde, Achim Kienle 1061Design and economic evaluation of alternatives to effluents treatment on biodiesel production from soybean oil and palm oilAndré F. Young, Fernando L. P. Pessoa, Eduardo M. Queiroz 1067Synthesis of transcritical ORC-integrated heat exchanger networks for waste heat recoveryCheng-Liang Chen, Po-Yi Li, Hui-Chu Chen, Jui-Yuan Lee 1073Efficiency comparison of different design schemes of reactive distillation process for ethyl lactate production from fermentation-derived magnesium lactateBoonpradab Dangpradab, Panarat Rattanaphanee 1079Tailor-made green diesel blends design using a decomposition-basedcomputer-aided approachLi Yee Phoon, Haslenda Hashim, Ramli Mat, Azizul Azri Mustaffa 1085A mathematical programming targeting method to select treatment technologies ahead of designAthanassios Nikolakopoulos, Antonis Kokossis 1091Optimal structure synthesis of ternary distillation systemHiroshi Takase, Shinji Hasebe 1097Optimization and analysis of chemical synthesis routes for the production of biofuelsDouglas Allan, W. Alex Marvin, Srinivas Rangarajan, Prodromos Daoutidis 1103Design and economic evaluation of coal to synthetic natural gas (SNG) processBor-Yih Yu, I-Lung Chien 1109Water networks synthesis for industrial parks involving inter-plantallocationLin-lin Liu, Jian Wang, Jian-ping Li, Jian Du, Feng-lin Yang 1115Energy-saving design and control of a hybrid extraction/distillation system for the separation of pyridine and waterYi-Chun Chen, I-Lung Chien 1121Alternative hybrid liquid-liquid and distillation sequences for the biobutanol separationM. Errico, E. Sanchez-Ramirez, J. J. Quiroz-Ramìrez, J. G. Segovia-Hernández, B.-G. Rong 1127

viii Contents

Integrated product and process design for the optimization of mayonnaise creaminessArend Dubbelboer, Jo Janssen, Ardjan Krijgsman, Edwin Zondervan, Jan Meuldijk 1133Synthesis of indirect work exchanger network based on transshipment modelJian Du, Yu Zhuang, Lin-lin Liu, Ji-long Li, Jie Fan, Qing-wei Meng 1139Development of sustainable CO2 conversion processes for the methanol productionKosan Roh, Tuan B. H. Nguyen, Uthaiporn Suriyapraphadilok, Jay H. Lee, Rafiqul Gani 1145Optimal design of algae biorefinery processing networks for the production of protein, ethanol and biodieselPeam Cheali, Anthony Vivion, Krist V. Gernaey, Gürkan Sin 1151Synthetic methane from CO2: Dynamic optimization of the Sabatier process for power-to-gas applicationsAli El Sibai, Liisa Rihko-Struckmann, Kai Sundmacher 1157Inter-process heat integration by coordination among agent systems for heat exchanger network designNaoki KIMURA, Tetsuo KAYA, Shintarro MIYAMOTO, Yoshifumi TSUGE 1163Design and synthesis of batch processing plants: A consideration of utility aspect and using a robust scheduling platformEsmael R. Seid, Thokozani Majozi 1169A novel approach for the identification of economic opportunities within the framework of a biorefineryA. I. Torres, I. Cybulska, C. J. Fang, M. H. Thomsen, J. E. Schmidt, G. Stephanopoulos 1175Integrated design and control of semicontinuous processes using mixed integer nonlinear dynamic optimizationVida Meidanshahi, Thomas A. Adams II 1181A computational platform for simulation, design and analysis of a poly(lactic) acid production process from different lignocellulosic rawmaterialsEduardo S. Pérez-Cisneros, Lourdes Avilés-Cabrera, Verónica Medina-Bañuelos, Mauricio Sales-Cruz, Alberto Ochoa-Tapia, TomásViveros-García, Ricardo Lobo-Ohemichen 1187Simultaneous design of desalination plants and distribution water networkSebastián Herrera, Luis A. Cisternas, Edelmira D. Gálvez 1193

Contents ix

Optimal design of microfluidic platforms for diffusion-based PCR for “one-pot” analysis of cellsJordan Crow, Luke E. K. Achenie, Chang Lu, Sai Ma, Despina Nelie Loufakis, Zhenning Cao, Yiwen Chang 1199A systematic methodology for optimal mixture design in an integrated biorefineryLik Yin Ng, Viknesh Adniappan, Nishanth G. Chemmangattuvalappil,Denny K. S. Ng 1205A systematic visual approach to ionic liquid design for carbon dioxide captureFah Keen Chong, Nishanth G. Chemmangattuvalappil, Dominic C. Y. Foo, Mert Atilhan, Fadwa T. Eljack 1211Intensification of C5 separation process by heat integration and thermalcouplingHsiao-Ching Hsu, San-Jang Wang, John Di-Yi Ou, David Shan Hill Wong 1217Conceptual design of post-combustion CO2 capture processes - packedcolumns and membrane technologiesMathias Leimbrink, Anna-Katharina Kunze, David Hellmann, Andrzej Górak, Mirko Skiborowski 1223Natural gas to liquid transportation fuels and olefins (GTL+C2_C4) Onur Onel, Alexander M. Niziolek, Christodoulos A. Floudas 1229Life-cycle assessment principles for the integrated product and process design of polymers from CO2

Niklas von der Assen, Mathias Lampe, Leonard Müller, André Bardow 1235Optimization-based methodology for wastewater treatment plant synthesis – a full scale retrofitting case studyHande Bozkurt, Krist V. Gernaey, Gürkan Sin 1241An integrated framework for controllability assessment and solvent selection in post-combustion CO2 capture processesTheodoros Damartzis, Athanasios I. Papadopoulos, Panos Seferlis 1247Using product driven process synthesis in the biorefineryAlexandra Kiskini, Edwin Zondervan, Peter Wierenga, Edwin Poiesz, Harry Gruppen 1253Integrating expanders into sub-ambient heat exchanger networksChao Fu, Truls Gundersen 1259Water free XTL processes: is it possible and at what cost?Xinying Liu, Bilal Patel, Diane Hildebrandt 1265

x Contents

Energy and yield evaluation of an alcohols and hydrocarbons production plant using Rh-based catalysts with different promotersJúlio C. C. Miranda, Gustavo H. S. F. Ponce, Harvey Arellano-Garcia,Rubens Maciel F., Maria R. Wolf M. 1271Computer-aided process analysis of an integrated biodiesel processes incorporating reactive distillation and organic solvent nanofiltrationKathrin Werth, Kolja Neumann, Mirko Skiborowski 1277A thermodynamic targeting approach for the synthesis of sustainable biorefineriesBilal Patel 1283A sustainability driven methodology for process synthesis in agro-food industryJochem Jonkman, Jacqueline M. Bloemhof, Jack G. A. J. van der Vorst, Albert van der Padt 1289Evaluation of dimethyl carbonate and ethylene glycol production from biomassChayanit Choomwattana, Aksornchan Chaianong, Worapon Kiatkittipong, Pichayapan Kongpanna, Suttichai Assabumrungrat 1295Simulation of carbon-dioxide-capture process using aqueous ammoniaAkrawin Jongpitisub, Kitipat Siemanond, Amr Henni 1301Energy efficient bioethanol purification by heat pump assisted extractive distillation Anton A. Kiss, Hao Luo, Costin Sorin Bildea 1307Process design of a multi-product lignocellulosic biorefineryAristide Giuliano, Massimo Poletto, Diego Barletta 1313MINLP optimization model for water/wastewater networks with multiple contaminantsKittichai Pungthong, Kitipat Siemanond 1319Design of separation processes with ionic liquidsWorawit Peng-noo, Kusuma Kulajanpeng, Rafiqul Gani, Uthaiporn Suriyapraphadilok 1325Systematic screening of fermentation products as future platform chemicals for biofuelsKristen Ulonska, Birgitta E. Ebert, Lars M. Blank, Alexander Mitsos, Jörn Viell 1331From fed-batch to continuous enzymatic biodiesel productionJason Price, Mathias Nordblad, John M. Woodley, Jakob K. Huusom 1337Feed flexibility of CH4 combined reforming for methanol productionBenjamín Cañete, Nélida B. Brignole, Carlos E. Gigola 1343

Contents xi

Process alternatives for second generation ethanol production from sugarcane bagasseFelipe F. Furlan, Roberto C. Giordano, Caliane B. B. Costa, Argimiro R. Secchi, John M. Woodley 1349Simulation study of heat transfer enhancement due to wall boiling condition in a microchannel reactor block for Fischer-TropschsynthesisKrishnadash S. Kshetrimayum, Park Seongho, Jong Ikhwan, NaJonggeol,Han Chonghun 1355CO2 vs biomass: Identification of environmentally beneficial processes for platform chemicals from renewable carbon sourcesAndré Sternberg, Holger Teichgräber, Philip Voll, André Bardow 1361Design and optimization of intensified quaternary Petlyuk configurationMassimiliano Errico, Pietro Pirellas, Ben-Guang Rong, Juan Gabriel Segovia-Hernández 1367Techno-economic analysis of power and hydrogen co-production by an IGCC plant with CO2 capture based on membrane technologyDaniele Sofia, Aristide Giuliano, Massimo Poletto, Diego Barletta 1373Synthesis of water treatment processes using mixed integer programmingMariya N. Koleva, Eleftheria M. Polykarpou, Songsong Liu, Craig A. Styan,Lazaros G. Papageorgiou 1379Viability of technologies for CO2 capture and reuse in a FPSO: Technical, economic and environmental analysisBruna C. S. Lima, Ofélia Q. F. Araújo, José L. de Medeiros,Cláudia R. V. Morgado 1385A superstructure-based framework for simultaneous process synthesis, heat integration, and utility plant designS. Murat Sen, James A. Dumesic, Christos T. Maravelias 1391Process design and optimization of integrated shale gas process for green chemicals productionChang He, Fengqi You 1397Value-added chemicals from microalgae: A sustainable process design using life cycle optimizationJian Gong, Fengqi You 1403The effect of charge composition on the optimal operational parameters of a batch extractive distillation processLaszlo Hegely, Peter Lang 1409

xii Contents

VPPD Lab -The chemical product simulatorSawitree Kalakul, Rehan Hussain, Nimir Elbashir, Rafiqul Gani 1415Synthesis of flexible heat exchanger networks integrated with reconfigurable control designLautaro Braccia, Patricio Luppi, Maximiliano García, Marta S. Basualdo 1421Computer-aided approach for designing solvents blend for herbal phytochemical extractionSiti Nuurul Huda Mohammad Azmin, Nor Alafiza Yunus, Azizul Azri Mustaffa, Sharifah Rafidah Wan Alwi, Lee Suan Chua 1427Evolutionary algorithm for de novo molecular design considering multi-dimensional constraintsRobert H. Herring III, Mario R. Eden 1433Data mining and regression algorithms for the development of a QSPR model relating solvent structure and ibuprofen crystal morphologyShounak Datta, Robert H. Herring III, Mario R. Eden 1439Designing reactants and products with properties dependent on both structuresVikrant A. Dev, Nishanth G. Chemmangattuvalappil, Mario R. Eden 1445Conceptual design of an internally heat-integrated reactive distillation columnbased on thermodynamic and hydraulic analysisZixin Lin, Weizhong An, Yawei Xu, Jianmin Zhu 1451Carbon capture and utilisation: Application of life cycle thinking to process designRosa Cuellar-Franca, Ioanna Dimitriou, Pelayo Garcia-Gutierrez,Rachael H. Elder, Ray W. K. Allen, Adisa Azapagic 1457Topology optimization for biocatalytic microreactor configurationsInês P. Rosinha, Krist V. Gernaey, John M. Woodley, Ulrich Krühne 1463Design of hybrid heat-integrated configuration for indirect reactive distillation processesKuo-Chun Weng, Hao-Yeh Lee 1469Optimization of ionic liquid recycling in Ionic Liquid-based Three Phase Partitioning processesEnrique Alvarez-Guerra, Angel Irabien 1475Optimization of the Integrated Gasification Combined Cycle Using Advanced Mathematical ModelsBongani Mvelase, Thokozani Majozi 1481

Contents xiii

Contributed Papers T-5: Process Dynamics, Control and MonitoringNonparametric soft sensor evaluation for industrial distillation plantAndrey Torgashov, Konstantin Zmeu 1487Comparing temperature difference control schemes for dividing-wall distillation columnsYang Yuan, Haisheng Chen, Jieping Yu, Kejin Huang 1493A decentralised multi-parametric model predictive control study for a domestic heat and power cogeneration systemNikolaos A. Diangelakis, Efstratios N. Pistikopoulos 1499A control strategy for periodic systems - application to the twin-column MCSGPMaria M. Papathanasiou, Fabian Steinebach, Guido Stroehlein,Thomas Müller-Späth, Ioana Nascu, Richard Oberdieck, MassimoMorbidelli, Athanasios Mantalaris, Efstratios N. Pistikopoulos 1505Design of multiparametric NCO-tracking controllers for linear dynamic systemsMuxin Sun, Benoît Chachuat, Efstratios N. Pistikopoulos 1511A performance-oriented robust framework for the online model-basedoptimization and control of (fed-) batch systemsFrancesco Rossi, Flavio Manenti, Gintaras V. Reklaitis, GuidoBuzzi-Ferraris 1517Raman-based advanced control of an absorption desorption systemErik Esche, David Müller, Michael Maiwald, Günter Wozny 1523A comparative study between neural networks (NN)-based and adaptive-PID controllers for the optimal bio-hydrogen gas production in microbial electrolysis cell reactorAzwar M. Yahya, Mohd A. Hussain, A. K. Abdul Wahab, M. F. Zanil 1529Reaction monitoring of cementing materials through multivariate techniques applied to in situ synchrotron X-ray diffraction dataAlessandra Taris, Massimiliano Grosso, Mariarosa Brundu, Vincenzo Guida, Alberto Viani 1535Multivariate fault isolation using lasso-based penalized discriminant analysisTe-Hui Kuang, Zhengbing Yan, Yuan Yao 1541Flexible operation of CO2 capture processes integrated with power plant using advanced control techniquesAna-Maria Cormos, Mihaela Vasile, Mircea-Vasile Cristea 1547Modified minimum variance approach for state and unknown input estimationYukteshwar Baranwal, Pushkar Ballal, Mani Bhushan 1553

xiv Contents

A new software development methodology for controllability analysis of forced circulation evaporator systemAfshin Sadrieh, Parisa A. Bahri 1559A nonlinear quasi-unknown input observer for the chemostat droop modelAlexander Schaum, Thomas Meurer 1565PAT for reactive crystallization process optimization for phosphorus recovery from sewage sludgeYi Liu, Haiyan Qu 1571Time-optimal operation of diafiltration processes in the presence of foulingMartin Jelemenský, Ayush Sharma, Radoslav Paulen, Miroslav Fikar 1577Supercritical gas recycle analysis for surge control of centrifugal compressorsSara Budinis, Nina F. Thornhill 1583Software sensors design and selection for the production of biodiesel from grease trap wastesEfrén Aguilar-Garnica, Juan P. García-Sandoval 1589Improving data reliability for process monitoring with fuzzy outlier detectionHarakhun Tanatavikorn, Yoshiyuki Yamashita 1595Inversion-based feedforward control design for the droop modelAlexander Schaum, Thomas Meurer 1601Effect of solvent content on controllability of extractive distillation columnsWagner B. Ramos, Marcella F. Figueirêdo, Karoline D. Brito,Romildo P. Brito 1607High purity, high recovery, multi-component methanol distillation controlIsuru A. Udugama, Tajammal Munir, Robert Kirkpatrick, Brent R. Young, Wei Yu 1613Implementation of model predictive control in industrial gasoline desulfurization processKornkrit Chiewchanchairat, Pornchai Bumroongsri, Veerayut Lersbamrungsuk, Amornchai Apornwichanop, Soorathep Kheawhom 1619Maximizing profit of semi batch autocatalytic esterification process in the presence of disturbance: application of cascaded-conditional based online dynamic optimizationFakhrony S. Rohman, Suhairi A. Sata, Norashid Aziz 1625

Contents xv

MIMO neural Wiener based model predictive control (NWMPC) for MTBE reactive distillation using simulated annealing- particle swarm optimization (SA-PSO)Muhamad N. Murat, Sudibyo, Norashid Aziz 1631A real time particle size control framework in non-isothermal antisolvent crystallization processesNavid Ghadipasha, Stefania Tronci, Roberto Baratti, Jose A. Romagnoli 1637Multivariable adaptive Lyapunov fuzzy controller for pH neutralisation processMohd F. Zanil, Mohd A. Hussain 1643Detection of changes in fouling behaviour by simultaneous monitoring of thermal and hydraulic performance of refinery heat exchangersEmilio Díaz-Bejarano, Francesco Coletti, Sandro Macchietto 1649Dosage of filter aids in the case of pure surface filtration – an optimal control approachMichael Kuhn, Heiko Briesen 1655Best of breed control of platinum precipitation reactorsRotimi Agbebi, Carl Sandrock 1661Multivariate analysis of industrial scale fermentation dataLisa Mears, Rasmus Nørregård, Stuart M. Stocks, Mads O. Albaek, Gürkan Sin, Krist V. Gernaey, Kris Villez 1667Model-based observation and design of crystal shapes via controlled growth-dissolution cyclesHolger Eisenschmidt, Naim Bajcinca, Kai Sundmacher 1673Adsorption based competitive purity control in crystallizationAkos Borsos, Zoltan K. Nagy 1679Stabilizing control for reactor/separator processes with gas and liquid recyclesHiroya Seki 1685Extended VRFT method for controller design of nonlinear systems based on block-oriented model structuresJyh-Cheng Jeng, Yi-Wei Lin, Min-Wei Lee 1691Linear or nonlinear? Comparing measures of nonlinearityMalik M. Tahiyat, M. A. A. Shoukat Choudhury 1697Model predictive control for the self-optimized operation in wastewater treatment plantsMario Francisco, Sigurd Skogestad, Pastora Vega 1703Off-line tube-based robust model predictive control for uncertain and highly exothermic polymerization processesPornchai Bumroongsri, Veerayut Lersbamrungsuk, Soorathep Kheawhom 1709

xvi Contents

Optimization based constrained unscented gaussian sum filterKrishna K. Kottakki, Sharad Bhartiya, Mani Bhushan 1715Systematic control structure evaluation of two-stage-riser fluidized catalytic pyrolysis processesZhihong Yuan, Ping Wang, Mario R. Eden 1721Novel data segmentation methods for data driven process analysesRajesh Paul, M. A. A. Shoukat Choudhury 1727Robust model predictive control strategy for LTV and LPV systems of the internal reforming solid oxide fuel cellNarissara Chatrattanawet, Soorathep Kheawhom, Amornchai Arpornwichanop 1733Plantwide predictive monitoring of sulfur emissions in tail gas treatment unitsEva M. Speelmanns, Francesco Rossi, Andres R. Leon-Garzon, Flavio Manenti 1739Robust control of industrial propylene-propane fractionation processCristian Patrascioiu, Nicolae Paraschiv, Anh C. Minh, MarianPopescu 1745Improved optimization-based design of PID controllers using exact gradientsChriss Grimholt, Sigurd Skogestad 1751Enhancing xylitol bio-production by an optimal feeding policy during fed-batch operationOscar A. Prado-Rubio, Héctor Hernández-Escoto, DivaneryRodriguez-Gomez, Sarote Sirisansaneeyakul, Ricardo Morales-Rodriguez 1757Performance evaluation of bayesian state estimators for nonlinear dae systems using a moderately high dimensional reactive distillation column modelJalesh L. Purohit, Sachin C. Patwardhan, Sanjay M. Mahajani 1763State estimation in fermentation of lignocellulosic ethanol. Focus on the use of pH measurementsMiguel Mauricio-Iglesias, Krist V. Gernaey, Jakob K. Huusom 1769Dynamic simulation and analysis of slug flow impact on offshore natural gas processing: TEG dehydration, Joule-Thomson expansion and membrane separationLara de O. Arinelli, Ofélia Q. F. Araújo, José L. de Medeiros 1775Contributed Papers T-6: Abnormal Events Management and Process SafetyAutomata based test plans for fault diagnosis in batch processesChuei-Tin Chang, Wei-Chung Hsieh 1781

Contents xvii

Modelling and monitoring of natural gas pipelines: new method for leak detection and localization estimationXinghua Pan, M. Nazmul Karim 1787Dynamic artificial immune system with variable selection based on causal inferenceYidan Shu, Jinsong Zhao 1793A smart safety system for chemical processesRafael M. Soares, Argimiro R. Secchi, José C. Pinto 1799Shape constrained splines with discontinuities for anomaly detection in a batch processKris Villez, Jonathan Habermacher 1805Quantifying model uncertainty in scarce data regions – a case study of particle erosion in pipelinesWei Dai, Selen Cremaschi 1811Leak identification using extended Kitanidis-Kalman filterC. Ganesh, Pushkar Ballal, Mani Bhushan, Sachin C. Patwardhan 1817Process monitoring and fault detection in non-linear chemical process based on multi-scale kernel Fisher discriminant analysisNorazwan M. Nor, Mohd A. Hussain, Che R. C. Hassan 1823Hierarchical fault propagation and control strategy from the resilience engineering perspective: A case study with petroleum refining systemJinqiu Hu, Laibin Zhang, Xi Ma, Zhansheng Cai 1829Risk analysis applied to bioethanol dehydration processes: azeotropic distillation versus extractive distillationAdriana Avilés-Martínez, Nancy Medina-Herrera, Arturo Jiménez-Gutiérrez, Medardo Serna-González, Agustín J. Castro-Montoya 1835

Krist V. Gernaey, Jakob K. Huusom and Rafiqul Gani (Eds.), 12th International Symposium on Process Systems Engineering and 25th European Symposium on Computer Aided Process Engineering. 31 May – 4 June 2015, Copenhagen, Denmark © 2015 Elsevier B.V. All rights reserved.

Design and Optimization of Intensified Quaternary Petlyuk Configuration Massimiliano Erricoa*, Pietro Pirellas, Ben-Guang Rongc

, Juan Gabriel Segovia-Hernándezb a Universitá degli Studi di Cagliari, Dipartimento di Ingegneria Meccanica, Chimica e dei Materiali, Via Marengo 2, 09123 Cagliari, Italy b Universidad de Guanajuato, Campus Guanajuato, División de Ciencias Naturales y Exactas, Departamento de Ingeniería Química, Noria Alta S/N, Guanajuato, Gto., 36050, México c Department of Chemical Engineering, Biotechnology and Environmental Technology, University of Southern Denmark, Niels Bohrs Allé 1, DK-5230 Odense M, Denmark massimiliano.errico@dimcm.unica.it

Abstract From its first introduction in 1965, the Petlyuk column received a high interest in the research community. Applied for the separation of three-component mixtures, the Petlyuk column is able to perform the separation with a reduced number of equipment and with a consistent reduction of the energy consumption compared to the classical sequences with simple columns. For a three-component separation the Petlyuk arrangement is composed by a prefractionator fully coupled with a main column that performs the separation of the products. Considering the great potential of these sequences it is natural to think about a possible extension to more than three component separations. In the present work a four component case is examined. If the divided wall column configuration is considered, the presence of three walls inside the main column makes the design and the control too complex to attract the industrial interest for a real application. New intensified sequences were proposed for the separation of four-component mixtures. These configurations use a less number of columns compared to the Petlyuk configuration. The case study reported proves the potential of the alternative configurations. Keywords: Petlyuk configuration, distillation sequencing, design, energy saving.

1. Introduction Two milestones are recognized by the research community as meaningful improvements in separations performed by distillation. The former is the introduction of structures with a partition wall inside the shell and the latter can be considered the definition of the Petlyuk configuration. Both of them were introduced almost fifty years ago but only recently have been successfully applied into the industrial practice for a limited number of feed components. Considering three-component separations, the Petlyuk configuration is composed by a prefractionator connected by two thermal couplings to the main column where the three products are obtained. If the prefractionator is included in the main column, the corresponding divided wall column (DWC) configuration is obtained. In both cases only one condenser and one reboiler are employed. It was clearly demonstrated that for a three-component mixture the Petlyuk configuration can

1368 M. Errico et al.

save up to 30 % of the energy consumption compare to the classical separation sequences (Emtir et al, 1999). Despite this evidence at least three valid hurdles contributed in the late development of Petlyuk and DWC configurations in the industrial practice. The first is the absence of recognized design methods, the second is the complexity of the structure and the third reason is the difficult in the process control. The research efforts, focused around these three points, contributed to reach more than one hundred operative DWCs around the world. It is possible to assert that for the case of three component separations the Petlyuk and its equivalent DWC configuration has the potential of a noteworthy energy saving, different design methods are available, structure complexity are overcame by using the thermodynamically equivalent configurations and moreover the control issues are solved. It is clear that the same results are aimed for different number of feed components. Moving from three to four components the complexity of the Petlyuk and DWC structure increases and up to now only few studies are focused on the possible applications of these configurations. The aim of the present work is to propose alternative configurations to the Petlyuk/DWC configuration for a four-component separation. The benefit of the alternatives proposed is a simple design with a less or comparable total annual cost compare to the corresponding Petlyuk/DWC configuration. A case study is presented to support the new sequences.

2. Synthesis Procedure The synthesis procedure is a systematic methodology that allows the prediction of all the alternatives generable from a sequence chosen as a reference. For a four-component mixture, the non-sharp configuration reported in Figure 1 is considered to start the generation procedure.

Figure 1. The six-column sequence for the fully sloppy separation of a quaternary mixture. In this six-column sequence, usually referred as fully sloppy configuration, all the mixtures with three or more components are separated by symmetric sloppy splits. The corresponding Petlyuk configuration can be obtained in two steps: in the first one the

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Design and Optimization of Intensified Quaternary Petlyuk Configuration 1369

column sections where the same mixture or component is separated are merged. In the case considered sections 4 and 5, 8 and 9, 10 and 11 are combined reducing the number of column to three. Then, considering that in the Petlyuk configuration there is only one condenser and one reboiler independently from the number of component to be separated, all the condensers and reboilers associated to non-product streams can be substituted with a thermal coupling. The corresponding configuration is showed in Figure 2.

Figure 2: quaternary Petlyuk configuration The Petlyuk configuration has three columns and five thermal couplings. Intensified sequences alternative to the Petlyuk arrangement can be obtained starting from the fully sloppy configuration of Figure 1 applying four different strategies (Rong at al, 2014): 1. Closed-Heat-Integration strategy to combine individual columns. This strategy is used to combine two columns by heat integration between a condenser and a reboiler co-producing a same product. This will reduce the number of columns. 2. Thermal coupling strategy to eliminate a condenser or a reboiler. This strategy is used to eliminate a condenser or a reboiler associated to a mixture of two or more components. This will reduce the number of heat exchangers. 3. Rearrangement of column sections strategy to generate thermodynamically equivalent structures. This strategy is used to recombine the column sections in a thermally coupled configuration through movement of the movable column sections. This will generate the thermodynamically equivalent structures which have different columns than the original thermally coupled configuration. 4. Elimination of the single-section-side columns strategy to produce the intensified distillation systems. For a thermally coupled configuration, there are thermodynamically equivalent structures in which there are single-section-side columns. This strategy is used to eliminate the single-section-side columns to generate the intensified distillation systems with fewer columns. Applying the four point strategy presented the five configurations reported in Figure 3 are obtained. In particular the configuration reported in Figure 3(a) is obtained applying the strategy 1 to merge section 8 with section 9 and section 10 with section 11, then following the strategy 2 the condenser associated to the submixture ABC and the reboiler associated to the submixture BCD are substituted by thermal couplings. Strategy 3 is used to rearrange section 3 above section 1 and section 6 below section 2, finally single sections 4 and 5 are eliminated as indicated in the strategy 4. Similarly the configurations reported in Figure 3 (b-e) are obtained. Analyzing all the configurations generated is possible to notice that are all composed by two columns, moreover in

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sequences 3(b) and 3(d) the stream C is obtained twice, in sequences 3(c) and 3(e) the component B is recovered in two separate streams. Only the sequence 3(a) is associated to the minimum number of streams. (a) (b) (c) (d) (e) Figure 3: The intensified distillation alternatives for quaternary Petlyuk configuration

3. Case Study and Comparison Indexes To test the applicability of the new intensified sequences, a case study has been considered. The composition and the product purity targets are shown in Table 1. Table 1: feed composition and purity target Component Feed composition [mol frac.] Purity target [mol frac] A Butane 0.05 0.990 B Hexane 0.10 0.970 C Heptane 0.10 0.974 D Nonane 0.75 0.997 A saturated liquid feed flowrate of 100 kmol h-1 is considered. All the configurations were simulated by means of Aspen Plus V8.0. The NRTL thermodynamic method was used and sieve trays columns were considered. The column pressure was optimized for

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Design and Optimization of Intensified Quaternary Petlyuk Configuration 1371

each column considering the possibility to use water in the condenser. The minimum temperature for the columns overhead vapor was defined to 323K. Three different indexes were selected for the configurations comparison: the total annual cost, the thermodynamic efficiency and the carbon dioxide emission. The Total Annual Cost (TAC) is obtained as a sum of the operative and the annualized capital costs as reported in Eq. (1).

(1)

The operative costs were evaluated taking into account the cost of the water and the vapor in the condenser and reboiler respectively. The costs of the auxiliary fluids were obtained from Rev et al., 2001. The capital costs were considered as the sum of the costs of the condensers, reboilers, column shell and trays, evaluated according to the Guthrie’s method reported in Turton et al., 2004. A mean investment time of 10 years was used to annualize the capital costs. The second index considered is how efficient the energy is being used. This information is expressed by the thermodynamic

d as reported by Seader et al., 2009 and defined in Eq. (2)

(2)

where Wmin is the minimum work of separation and LW the lost work. The last index used to compare the different configurations is the carbon dioxide emission (mco2) since as a greenhouse gas is directly related to the global warming. The amount of carbon dioxide emitted was evaluated by the Eq. (3) following the method reported by Gadalla et al., 2005:

(3)

where Qfuel is the heat generated by the combustion reaction, NHV the net heating value 2.

4. Simulations and results In order to get the design parameters of all the alternative sequences, the fully sloppy configuration of Figure 1 was first simulated using the short-cut method of Underwood-Gilliland-Winn already implemented in Aspen Plus. The parameters obtained were used to initialize the stage-to-stage rigorous method RadFrac. The number of stages, feed location, reflux ratio were then optimized for the minimum energy consumption. The design of the Petlyuk configuration was performed considering the correspondent among the column sections functionality (Errico et al., 2014). In this way once the design of the fully sloppy configuration of Figure 1 was obtained the configuration parameters were transposed to the analogous sections. The thermal coupling the flowrates were defined as the minimum possible value to assure the products purity targets. Following the same design methodology cited for the Petlyuk configuration, the alternative configurations reported in Figure 3 have been simulated using the correspondence of column functionality. Only the results for the configuration of Figure 3(a) are reported in Table 2 since, for the composition cases considered, was most convenient from the energy consumption point of view. Among all the alternatives predicted, the one in Figure 3(a), is the only sequence that performs the separation of the middle components once.

1372 M. Errico et al.

Table 2: Sequences comparison Petlyuk Fig. 3(a) TAC [$/y] 433 432

[%] 47 52 CO2 [kg/h] 601 598

5. Conclusions The work presented a new space of alternatives to the Petlyuk configuration for quaternary separation. The motivation of the work starts from the interest in the Petlyuk configuration due to its potential in energy reduction. Anyway for a four-component separation, the complexity of the design and control limit its application. A synthesis methodology is presented to generate a complete space of alternatives with a simpler design. For the case considered, among all the sequences it was obtained once with similar or better performance compare to the Petlyuk configuration. It is possible to conclude that the alternatives proposed are a valid alternative to the complexity of the Petlyuk configuration but still with the same benefit of less energy consumption.

References M. Emtir, E. Rev, P. Mizsey, Z. Fonyò, 1999, Comparison of integrated and coupled distillation

schemes using different utility prices, Computers & Chemical Engineering, 23, S799-S802 M.Errico, B.-G.Rong, C.E.Torres-Ortega, J.G.Segovia-Hernandez, 2014, The importance of the

sequential synthesis methodology in the optimal distillation sequence design, Computers and Chemical Engineering, 62, 1-9

M.A. Gadalla Smith R., 2005,. Environ. Sci. Reducing CO2 emissions and energy consumption of heat-integrated distillation systems Technol, 39, 6860-6870

E. Rev, M. Emtir, Z. Szitkai, P. Mizsey, Z. Fonyo, 2001, Energy Savings of Integrated and Coupled Distillation Systems, Computers & Chemical Engineering, 25, 119-140

B.-G. Rong, M. Errico, J.G. Segovia-Hernandez, 2014, New intensified distillation systems for quaternary Petlyuk configuration, 24th European Symposium on Computer Aided Process Engineering-ESCAPE 24

W.D. Seider, J.D. Seader, D.R. Lewin, S. Widagdo, 2009, Product and Process Design Principles. Synthesis, Analysis and Evaluation, John Wiley and Sons, Inc: Asia

R. Turton, R.C. Bailie, W.B. Whiting, J.A. Shaeiwitz, Analysis, 2004, Synthesis and Design of Chemical Process, Second ed., Prentice Hall: USA