Table Of ContentChemical Engineering Process
Simulation
Chemical Engineering
Process Simulation
Second Edition
Edited by
Dominic C. Y. Foo
Department of Chemical and Environmental Engineering/Centre of
Excellence for Green Technologies, University of Nottingham Malaysia,
Semenyih, Selangor, Malaysia
Elsevier
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Dedication
The editor and author Dominic Foo would
like to dedicate this book to his wife
Cecilia and their kids Irene, Jessica, and
Helena. He would also like to dedicate
this book to his students who join his
process simulation classes at the
University of Nottingham Malaysia.
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Contents
Contributors xvii
Acknowledgments xix
Howtousethisbook xxi
Part I
Basics of process simulation
1. Introduction to process simulation
DominicC.Y. FooandRafilElyas
1.1 Process designandsimulation 4
1.2 Historicalperspectiveforprocesssimulation 6
1.3 Basic architectures forcommercialsoftware 7
1.4 Basic algorithmsforprocesssimulation 9
1.4.1 Sequentialmodularapproach 9
1.4.2 Equation-orientedapproach 11
1.5 Degrees offreedom analysis 11
1.6 Incorporationofprocesssynthesis modelandsequential
modular approach 15
1.6.1 Tengoodhabitsforprocesssimulation 20
Exercises 26
References 27
Furtherreading 28
2. Registration of new components
DennyK.S.Ng,ChienHwaChongand
Nishanth Chemmangattuvalappil
2.1 Registrationofhypotheticalcomponents 29
2.1.1 HypotheticalcomponentregistrationwithAspen HYSYS 30
2.1.2 HypotheticalcomponentregistrationwithPRO/II 30
2.2 Registrationofcrudeoil 32
Exercise 53
References 55
vii
viii Contents
3. Physical property estimation and phase behavior
for process simulation
RafilElyas
3.1 Chemicalengineeringprocesses 58
3.1.1 Inletseparator 58
3.1.2 Heatexchanger 59
3.1.3 Gascompressor 59
3.2 Thermodynamicprocesses 60
3.2.1 Characteristicthermodynamicrelationships 61
3.2.2 Maxwellrelationships 62
3.3 Equationsofstate 63
3.3.1 Theidealgaslaw(c.1834) 63
3.3.2 Correctionstotheidealgaslaw
(cubicequationsofstate) 63
3.4 Liquidvolumes 67
3.5 Viscosityandother properties 69
3.6 Phase equilibria 69
3.6.1 Vaporphasecorrection 71
3.6.2 Liquidphasecorrections 72
3.6.3 Bringingitalltogether 74
3.7 Flash calculations 75
3.7.1 “MESH” equations 76
3.7.2 Bubblepointflash 77
3.7.3 Dewpointflash 77
3.7.4 Two-phasepressureetemperatureflash 78
3.7.5 Otherflashroutines 78
3.8 Phase diagrams 79
3.8.1 Pressureetemperaturediagramsofpurecomponents
andmixtures 79
3.8.2 Retrogradebehavior 83
3.9 Conclusions 84
Exercises 84
References 86
4. Simulation of recycle streams
DominicC.Y.Foo,SiewhuiChong
andNishanthChemmangattuvalappil
4.1 Typesofrecyclestreams 87
4.2 Tipsinhandling recyclestreams 88
4.2.1 Analyzetheflowsheet 88
4.2.2 Provideestimatesforrecyclestreams 90
4.2.3 Simplifytheflowsheet 90
4.2.4 Avoidoverspecifyingmassbalance 91
4.2.5 Checkfortrappedmaterial 92
4.2.6 Increasenumberofiterations 92
Contents ix
4.3 Recycleconvergenceandaccelerationtechniques 93
Exercises 99
References 100
Furtherreading 100
Part II
UniSim design
5. Basics of process simulation with UniSim design
DominicC.Y. Foo
5.1 Exampleonn-octaneproduction 103
5.2 Stage1:basic simulationsetup 104
5.3 Stage2:modeling ofreactor 108
5.4 Stage3:modeling ofseparationunit 112
5.5 Stage4:modeling ofrecyclesystem 113
5.5.1 Materialrecyclesystem 114
5.5.2 Energyrecyclesystem 117
5.6 Conclusions 121
Exercises 121
References 124
6. Design and simulation of distillation processes
Nishanth ChemmangattuvalappilandJiaWenChong
6.1 Fundamentalsofdistillationcalculations 125
6.2 Distillationcolumn simulation 127
6.3 Debutanizerexample 128
6.3.1 Settinguptheproblem 128
6.3.2 Operating pressureselection 130
6.3.3 Effectofpressureonrelativevolatility 130
6.3.4 Effectofpressureonutilityselection 131
6.4 Preliminarydesignusingshortcutdistillation 132
6.5 Rigorous distillationcolumn design 133
6.6 Conclusions 137
Exercises 137
References 138
7. Modeling and optimization of separation and heating
medium systems for offshore platform
DominicC.Y. Foo,RaymondE.H.OoiandPitchaimuthuDiban
7.1 Oilandgasprocessing facilityforoffshoreplatform 139
7.2 Modelingofoilandgasprocessingfacilities 140
7.3 Process optimizationofheatingmediumsystems 145
7.4 Heatexchanger designconsideration 149
Exercises 152
References 154
x Contents
Part III
Symmetry
8. Basics of process simulation with Symmetry
NurainShakinaRoslizam,AbdulRahimNorman,
ShahrulAzmanAbidinandZulfanAdi Putra
8.1 Exampleonn-octaneproduction 157
8.2 Establishingthe thermodynamicmodel 157
8.3 Processmodeling 159
8.3.1 Definingreactorinletfeedstreams 160
8.3.2 Modelingofreactor 161
8.3.3 Modelingofseparationunits 163
8.3.4 Modelingofrecyclesystems 168
8.4 Conclusions 180
Exercises 180
Reference 180
9. Process modeling and analysis of a natural gas
dehydration process using tri-ethylene glycol
(TEG) via Symmetry
SitiNurfaqihahAzhari,NoorhidayahBtHusseinand
ZulfanAdi Putra
9.1 Introduction 181
9.2 Processdescription 182
9.3 Processsimulation 183
9.3.1 Thermodynamicmodelandfeedstreamspecification 183
9.3.2 Basecasesimulation 184
9.4 DewpointevaluationwithCaseStudytool 186
9.5 Processimprovement withoptimizer 191
9.6 Conclusions 199
Exercises 199
References 199
Part IV
SuperPro designer
10. Basics of batch process simulation with
SuperPro Designer
DominicC.Y.Foo
10.1 Basic stepsforbatchprocess simulation 203
10.2 Casestudyonbiochemicalproduction 204
10.3 Basic simulationsetup 204
