Aspen Plus: Chemical Engineering Applications 1st Edition

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Facilitates the process of learning and later mastering Aspen Plus® with step by step examples and succinct explanations Step-by-step textbook for identifying solutions to various process engineering problems via screenshots of the Aspen Plus® platforms in parallel with the related text Includes end-of-chapter problems and term project problems Includes online exam and quiz problems for instructors that are parametrized (i.e., adjustable) so that each student will have a standalone version Includes extra online material for students such as Aspen Plus®-related files that are used in the working tutorials throughout the entire textbook

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ASPENPLUS ®

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ASPENPLUS ® ChemicalEngineeringApplications KAMALI.M.AL-MALAH Department of Chemical Engineering Higher Colleges of Technology Ruwais United Arab Emirates

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Copyright©2017byJohnWileySons Inc. All rights reserved Published byJohnWiley Sons Inc. HobokenNew Jersey Published simultaneously inCanada No partofthis publication maybereproduced storedin aretrieval system ortransmitted in anyformorbyany means electronic mechanical photocopyingrecording scanning orotherwise exceptas permitted under Section 107or108ofthe1976United States CopyrightAct without eitherthe priorwritten permission ofthe Publisher orauthorization throughpayment oftheappropriateper-copy feeto theCopyrightClearanceCenter Inc. 222RosewoodDrive Danvers MA 01923978750-8400fax 978750-4470oronthe web at www.copyright.com. Requests tothe Publisher forpermission shouldbe addressed tothe Permissions Department JohnWileySons Inc. 111RiverStreet HobokenNJ 07030201748-6011fax201 748-6008oronline at http://www.wiley.com/go/permissions. Limit ofLiability/Disclaimer ofWarranty:While thepublisher andauthorhaveused their best effortsin preparingthis booktheymake norepresentations orwarranties with respect tothe accuracyorcompleteness of the contents ofthis bookand specifcally disclaim anyimplied warranties ofmerchantability orftness fora particular purpose. Nowarranty maybe created orextendedbysales representatives orwritten sales materials. The adviceand strategies contained hereinmay notbesuitable foryoursituation. Youshouldconsult with a professional where appropriate. Neither the publishernorauthorshall beliable foranyloss ofproftoranyother commercial damages includingbutnotlimited to special incidental consequential orotherdamages. Forgeneral informationonourotherproductsandservices orfortechnical supportplease contact ourCustomer Care Department within theUnited States at 800762-2974outsidethe United States at 317572-3993orfax 317572-4002. Wileyalso publishes its booksina varietyofelectronic formats. Some content thatappears in printmaynotbe availableinelectronicformats.FormoreinformationaboutWileyproductsvisitourwebsiteatwww.wiley.com. LibraryofCongressCataloging-in-PublicationData: Names: Al-Malah Kamal I. M. author. Title: Aspen plus: chemical engineeringapplications /Dr. Kamal I.M. Al-Malah. Other titles: Chemical engineeringapplications Description: HobokenNew Jersey :JohnWiley Sons Inc. 2017|Includes bibliographicalreferences and index. Identifers: LCCN2016014430|ISBN 9781119131236cloth|ISBN 9781119293613 AdobePDF | ISBN9781119293620epub Subjects: LCSH: Chemical processes–Computer simulation. | Chemical process control–Computerprograms.| Aspen plus. Classifcation: LCCTP155.7.A45 2017| DDC660/.28–dc23LCrecordavailable at https://lccn.loc.gov/2016014430 Set in 10/12ptTimesLTStd bySPi Global ChennaiIndia Printed inthe United States ofAmerica 10987654321

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Tomycreatorwhotaughthumansthingstheydidnotknowbefore TothelastprophetMohammadandtotheprecedingprophetspeacebeuponallofthem Tomyfrstlovelyteachersinthislife:momanddad TomywifeFadiadaughtersAnwarandLamaandsonsAbdallahandMohammad Tomybiologicalbrothersandsisters TomyfrstclassteacherMrRaslanAl-Malahmercybeuponhim TomysucceedingteachersandprofessorsbetweenthefrstclassanduntilIgotmyPh.D. degree TomylastprofessormyPh.D.supervisorDrJoeMcGuire TomyChemicalEngineeringstudentsatdifferentuniversities ToAspenTechInc.whosponsoredthiswork ToJohnWileySonsInc.bookeditorialstaffand ToSPiGlobalbookproductionteam. Finallytomybrothersandsistersinhumanityworldwide TothefrstIsay:Ioweyoueverythingandyouarethefrstandlast. TotherestIsay:mysincereandwarmgreetingstoallofyou.

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CONTENTS Preface xvii TheBookTheme xix AbouttheAuthor xxi WhatDoYouGetOutofThisBook xxiii WhoShouldReadThisBook xxv NotesforInstructors xxvii Acknowledgment xxix AbouttheCompanionWebsite xxxi 1 IntroducingAspenPlus 1 1.1 What Does Aspen Stand For 1 1.2 What isAspen Plus Process Simulation Model 2 1.3 Launching Aspen Plus V8.8 3 1.4 Beginning aSimulation 4 1.5 Entering Components 14 1.6 Specifying theProperty Method 15 1.7 Improvement ofthe Property Method Accuracy 23 1.8 FileSaving 38 Exercise 1.1 40 1.9 A Good Flowsheeting Practice 40 1.10 Aspen Plus Built-InHelp 40 1.11 For More Information 40 Homework/Classwork 1.1 Pxy 41

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viii CONTENTS Homework/Classwork 1.2ΔG mix 42 Homework/Classwork 1.3Likes Dissolve Likes asEnvisaged by NRTL Property Method 42 Homework/Classwork 1.4The Mixing Rule 44 2 MoreonAspenPlusFlowsheetFeatures1 49 2.1 Problem Description 49 2.2 Entering and Naming Compounds 49 2.3 Binary Interactions 51 2.4 The “Simulation” Environment: Activation Dashboard 53 2.5 Placing aBlock and Material Stream from Model Palette 53 2.6 Block and Stream Manipulation 54 2.7 Data Input Project Title and Report Options 56 2.8 Running the Simulation 58 2.9 The Difference Among Recommended Property Methods 61 2.10 NIST/TDE Experimental Data 62 Homework/Classwork 2.1Water–Alcohol System 65 Homework/Classwork 2.2Water–Acetone–EIPK System withNIST/DTE Data 66 Homework/Classwork 2.3Water–Acetone–EIPK System Without NIST/DTE Data 69 3 MoreonAspenPlusFlowsheetFeatures2 71 3.1 Problem Description: Continuation tothe Problem inChapter 2 71 3.2 The Clean Parameters Step 71 3.3 Simulation ResultsConvergence 74 3.4 Adding Stream Table 76 3.5 Property Sets 78 3.6 Adding Stream Conditions 82 3.7 Printing fromAspen Plus 83 3.8 Viewing the Input Summary 84 3.9 Report Generation 85 3.10 Stream Properties 87 3.11 Adding aFlash Separation Unit 88 3.12 The Required Input for“Flash3”-Type Separator 90 3.13 Running the Simulation and Checking the Results 91 Homework/Classwork 3.1Output ofInput Data and Results 92 Homework/Classwork 3.2Output ofInput Data and Results 93 Homework/Classwork 3.3Output ofInput Data and Results 93 Homework/Classwork 3.4The PartitionCoeffcient of aSolute 93 4 FlashSeparationandDistillationColumns 99 4.1 Problem Description 99 4.2 Adding aSecond Mixer and Flash 99 4.3 Design Specifcations Study 101 Exercise 4.1DesignSpec 105

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CONTENTS ix 4.4 Aspen Plus DistillationColumn Options 106 4.5 “DSTWU” DistillationColumn 107 4.6 “Distl”DistillationColumn 111 4.7 “RadFrac” DistillationColumn 113 Homework/Classwork 4.1 Water–Alcohol System 120 Homework/Classwork 4.2 Water–Acetone–EIPK System withNIST/DTE Data 125 Homework/Classwork 4.3 Water–Acetone–EIPK System Without NIST/DTE Data 127 Homework/Classwork 4.4 Scrubber 128 5 Liquid–LiquidExtractionProcess 131 5.1 Problem Description 131 5.2 The Proper Selection forProperty Method forExtraction Processes 131 5.3 Defning New Property Sets 136 5.4 The Property Method Validation Versus Experimental Data UsingSensitivity Analysis 136 5.5 A MultistageExtraction Column 142 5.6 The Triangle Diagram 146 References 149 Homework/Classwork 5.1 Separation ofMEK fromOctanol 149 Homework/Classwork 5.2 Separation ofMEK fromWater Using Octane 150 Homework/Classwork 5.3 Separation ofAcetic Acid from Water Using Isopropyl Butyl Ether 151 Homework/Classwork 5.4 Separation ofAcetone from Water Using Trichloroethane 151 Homework/Classwork 5.5 Separation ofPropionic Acid fromWater Using MEK 152 6 ReactorswithSimpleReactionKineticForms 155 6.1 Problem Description 155 6.2 Defning Reaction Rate Constant toAspen Plus ® Environment 155 6.3 Entering Components and Method of Property 157 6.4 The Rigorous Plug-Flow Reactor RPLUG 159 6.5 Reactor and Reaction Specifcations for RPLUG PFR 161 6.6 Running theSimulation PFROnly 167 Exercise 6.1 167 6.7 Compressor CMPRSSR and RadFrac Rectifying Column RECTIF 168 6.8 Running theSimulation PFR+CMPRSSR +RECTIF 171 Exercise 6.2 172 6.9 RadFrac DistillationColumn DSTL 172 6.10 Running theSimulation PFR+ CMPRSSR + RECTIF +DSTL 174 6.11 Reactor and Reaction Specifcations for RCSTR 175 6.12 Running theSimulation PFR+ CMPRSSR + RECTIF +DSTL + RCSTR 179 Exercise 6.3 180

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x CONTENTS 6.13 Sensitivity Analysis: The Reactor’s Optimum Operating Conditions 181 References 188 Homework/Classwork 6.1Hydrogen Peroxide Shelf-Life 189 Homework/Classwork 6.2Esterifcation Process 192 Homework/Classwork 6.3Liquid-Phase Isomerization ofn-Butane 194 7 ReactorswithComplexNon-ConventionalReactionKineticForms 197 7.1 Problem Description 197 7.2 Non-Conventional Kinetics: LHHW Type Reaction 199 7.3 General Expressions for Specifying LHHW Type Reaction inAspen Plus 200 7.3.1 The “Driving Force” forthe Non-Reversible Irreversible Case 201 7.3.2 The “Driving Force” forthe Reversible Case 201 7.3.3 The “Adsorption Expression” 202 7.4 The Property Method: “SRK” 202 7.5 Rplug Flowsheet for Methanol Production 203 7.6 Entering Input Parameters 203 7.7 Defning Methanol Production Reactions as LHHW Type 205 7.8 Sensitivity Analysis: Effect of Temperature and Pressureon Selectivity 216 References 219 Homework/Classwork 7.1Gas-Phase Oxidation ofChloroform 220 Homework/Classwork 7.2Formation ofStyrene from Ethylbenzene 222 Homework/Classwork 7.3Combustion of Methane Over Steam-Aged Pt–Pd Catalyst 225 8 PressureDropFrictionFactorANPSHandCavitation 229 8.1 Problem Description 229 8.2 The Property Method: “STEAMNBS” 229 8.3 A Water Pumping Flowsheet 230 8.4 Entering Pipe Pump and Fittings Specifcations 231 8.5 Results: Frictional Pressure Drop thePump Work Valve Choking and ANPSH VersusRNPSH 237 Exercise 8.1 238 8.6 Model Analysis Tools: Sensitivity forthe Onset of Cavitation or Valve Choking Condition 242 References 247 Homework/Classwork 8.1Pentane Transport 247 Homework/Classwork 8.2Glycerol Transport 248 Homework/Classwork 8.3AirCompression 249 9 TheOptimizationTool 251 9.1 Problem Description: Defning the Objective Function 251 9.2 The Property Method: “STEAMNBS” 252 9.3 A Flowsheet forWater Transport 253 9.4 Entering Stream Pump and Pipe Specifcations 253

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CONTENTS xi 9.5 Model Analysis Tools: The Optimization Tool 256 9.6 Model Analysis Tools: The SensitivityTool 260 9.7 Last Comments 263 References 264 Homework/Classwork 9.1 Swamee–Jain Equation 264 Homework/Classwork 9.2 ASimplifed Pipe Diameter Optimization 264 Homework/Classwork 9.3 TheOptimum Diameter fora Viscous Flow 265 Homework/Classwork 9.4 TheSelectivity of Parallel Reactions 266 10 HeatExchangerH.E.Design 269 10.1 Problem Description 269 10.2 Types of Heat Exchanger Models inAspen Plus 270 10.3 The Simple Heat Exchanger Model “Heater” 272 10.4 The Rigorous Heat Exchanger Model “HeatX” 274 10.5 The Rigorous Exchanger Design and Rating EDR Procedure 279 10.5.1 The EDR Exchanger FeasibilityPanel 279 10.5.2 The Rigorous Mode Withinthe“HeatX” Block 294 10.6 General Footnotes on EDR Exchanger 294 References 297 Homework/Classwork 10.1 Heat Exchanger withPhase Change 297 Homework/Classwork 10.2 HighHeat Duty Heat Exchanger 298 Homework/Classwork 10.3 Design Spec Heat Exchanger 299 11 Electrolytes 301 11.1 Problem Description: Water De-Souring 301 11.2 What Isan Electrolyte 301 11.3 The Property Method for Electrolytes 302 11.4 The Electrolyte Wizard 302 11.5 Water De-Souring Process Flowsheet 310 11.6 Entering theSpecifcations of Feed Streams and the Stripper 311 References 315 Homework/Classwork 11.1 AnAcidic Sludge Neutralization 316 Homework/Classwork 11.2 CO 2 Removal from Natural Gas 317 Homework/Classwork 11.3 pH of Aqueous Solutions of Salts 321 Appendix 11.A Development of “ELECNRTL” Model 324 12 PolymerizationProcesses 325 12.1 The Theoretical Background 325 12.1.1 Polymerization Reactions 325 12.1.2 Catalyst Types 326 12.1.3 Ethylene Process Types 327 12.1.4 Reaction Kinetic Scheme 327 12.1.5 Reaction Steps 327 12.1.6 Catalyst States 328

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xii CONTENTS 12.2 High-DensityPolyethyleneHDPEHigh-TemperatureSolutionProcess 329 12.2.1 Problem Defnition 330 12.2.2 Process Conditions 330 12.3 Creating Aspen Plus Flowsheet for HDPE 331 12.4 Improving Convergence 338 12.5 Presenting theProperty Distributionof Polymer 339 References 343 Homework/Classwork 12.1 Maximizing theDegree of HDPE Polymerization 344 Homework/Classwork 12.2 Styrene AcrylonitrileSAN Polymerization 345 Appendix 12.A The Main Features and Assumptions of Aspen Plus Chain Polymerization Model 351 Appendix 12.A.1 Polymerization Mechanism 351 Appendix 12.A.2 Copolymerization Mechanism 351 Appendix 12.A.3 Rate Expressions 352 Appendix 12.A.4 Rate Constants 352 Appendix 12.A.5 Catalyst Preactivation 352 Appendix 12.A.6 Catalyst SiteActivation 352 Appendix 12.A.7 SiteActivation Reactions 353 Appendix 12.A.8 Chain Initiation 353 Appendix 12.A.9 Propagation 353 Appendix 12.A.10 Chain Transfer toSmall Molecules 354 Appendix 12.A.11 Chain Transfer toMonomer 354 Appendix 12.A.12 SiteDeactivation 354 Appendix 12.A.13 SiteInhibition 354 Appendix 12.A.14 Cocatalyst Poisoning 355 Appendix 12.A.15 Terminal Double Bond Polymerization 355 Appendix 12.A.16 Phase Equilibria 355 Appendix 12.A.17 RateCalculations 355 Appendix 12.A.18 Calculated Polymer Properties 356 Appendix 12.B The Number Average Molecular Weight MWNand Weight Average Molecular Weight MWW 356 13 CharacterizationofDrug-LikeMoleculesUsingAspenProperties 361 13.1 Introduction 361 13.2 Problem Description 362 13.3 Creating Aspen Plus Pharmaceutical Template 363 13.3.1 Entering theUser-Defned Benzamide BNZMD-UD as Conventional 363 13.3.2 Specifying Properties toEstimate 364 13.4 Defning Molecular Structure ofBNZMD-UD 364 13.5 Entering Property Data 370 13.6 Contrasting Aspen Plus Databank BNZMD-DB Versus BNZMD-UD 373 References 375 Homework/Classwork 13.1 Vanillin 375 Homework/Classwork 13.2 Ibuprofen 376

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CONTENTS xiii 14 SolidsHandling 379 14.1 Introduction 379 14.2 Problem Description 1: The Crusher 379 14.3 Creating Aspen Plus Flowsheet 380 14.3.1 Entering Components Information 380 14.3.2 Adding theFlowsheet Objects 381 14.3.3 Defning theParticle Size DistributionPSD 382 14.3.4 Calculation of theOutlet PSD 385 Exercise 14.1 Determine Crusher Outlet PSD from Comminution Power 386 Exercise 14.2 Specifying Crusher Outlet PSD 386 14.4 Problem Description 2: The Fluidized Bed for Alumina Dehydration 387 14.5 Creating Aspen Plus Flowsheet 387 14.5.1 Entering Components Information 387 14.5.2 Adding theFlowsheet Objects 388 14.5.3 Entering Input Data 389 14.5.4 Results 391 Exercise 14.3 Reconverging theSolution for an Input Change 392 References 393 Homework/Classwork 14.1 KCl Drying 393 Homework/Classwork 14.2 KCl Crystallization 396 Appendix 14.A Solids Unit Operations 401 Appendix 14.A.1 Unit Operation Solids Models 401 Appendix 14.A.2 Solids Separators Models 401 Appendix 14.A.3 Solids Handling Models 402 Appendix 14.B Solids Classifcation 402 Appendix 14.C Predefned Stream Classifcation 403 Appendix 14.D Substream Classes 404 Appendix 14.E Particle Size DistributionPSD 405 Appendix 14.F Fluidized Beds 406 15 AspenPlus ® Dynamics 409 15.1 Introduction 409 15.2 Problem Description 410 15.3 Preparing Aspen Plus Simulation forAspen Plus Dynamics APD 411 15.4 Conversion of Aspen Plus Steady-State intoDynamic Simulation 416 15.4.1 Modes of Dynamic CSTR Heat Transfer 417 15.4.2 Creating Pressure-Driven Dynamic Files for APD 422 15.5 Opening aDynamic FileUsingAPD 423 15.6 The “Simulation Messages” Window 424 15.7 The Running Mode: Initialization 425 15.8 Adding Temperature Control TCUnit 426 15.9 Snapshots Management forCaptured Successful OldRuns 430 15.10 The Controller Faceplate 431 15.11 Communication Time forUpdating/Presenting Results 434 15.12 The Closed-Loop Auto-Tune Variation ATV Test VersusOpen-Loop Tune-Up Test 434

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xiv CONTENTS 15.13 The Open-Loop Manual Mode Tune-Up for Liquid Level Controller 436 15.14 The Closed-Loop Dynamic Response for Liquid Level Load Disturbance 443 15.15 The Closed-Loop Dynamic Response for Liquid Level Set-Point Disturbance 448 15.16 Accounting forDead/Lag Time inProcess Dynamics 450 15.17 The Closed-Loop AutoMode ATV Test forTemperature Controller TC 451 15.18 The Closed-Loop Dynamic Response: “TC” Response toTemperature Load Disturbance 459 15.19 Interactions Between “LC” and “TC” Control Unit 462 15.20 The Stability ofa Process Without Control 464 15.21 The Cascade Control 466 15.22 Monitoring of Variables as Functions of Time 468 15.23 Final Notes on theVirtual DRYProcess Control inAPD 472 References 478 Homework/Classwork 15.1 ACascade Control of aSimple Water Heater 478 Homework/Classwork 15.2 ACSTR Control with“LMTD” Heat Transfer OPTION 482 Homework/Classwork 15.3 APFR Control forEthylbenzene Production 483 16 SafetyandEnergyAspectsofChemicalProcesses 487 16.1 Introduction 487 16.2 Problem Description 487 16.3 The “Safety Analysis”Environment 488 16.4 Adding aPressureSafety Valve PSV 490 16.5 Adding aRupture DiskRD 496 16.6 Presentation of Safety-Related Documents 500 16.7 Preparation of Flowsheet for“Energy Analysis” Environment 501 16.8 The “Energy Analysis” Activation 506 16.9 The “Energy Analysis” Environment 510 16.10 The Aspen Energy Analyzer 512 Homework/Classwork 16.1 Adding aStorage Tank Protection 513 Homework/Classwork 16.2 Separation of C2/C3/C4 Hydrocarbon Mixture 518 17 AspenProcessEconomicAnalyzerAPEA 523 17.1 Optimized Process Flowsheet forAcetic Anhydride Production 523 17.2 Costing Options inAspen Plus 525 17.2.1 Aspen Process Economic Analyzer APEA Estimation Template 525 17.2.2 Feed and Product Stream Prices 527 17.2.3 UtilityAssociationwithaFlowsheet Block 528 17.3 The FirstRoute for Chemical Process Costing 531

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CONTENTS xv 17.4 The Second Round for Chemical Process Costing 532 17.4.1 Project Properties 533 17.4.2 Loading Simulator Data 535 17.4.3 Mapping and Sizing 537 17.4.4 Project Evaluation 544 17.4.5 Fixing Geometrical Design-Related Errors 546 17.4.6 Executive Summary 549 17.4.7 Capital CostsReport 550 17.4.8 Investment Analysis 551 Homework/Classwork 17.1 Feed/Product Unit PriceEffect onProcess Proftability 555 Homework/Classwork 17.2 UsingEuropean Economic Template 556 Homework/Classwork 17.3 Process Proftability of Acetone Recovery from Spent Solvent 556 Appendix 17.A 559 Appendix 17.A.1 NetPresentValueNPVforaChemicalProcess Plant 559 Appendix 17.A.2 Discounted Payout PAYBACK Period DPP 560 Example 17.1 UniformCash Flow 561 Example 17.2 Non-Uniform Cash Flow 561 Appendix 17.A.3 Proftability Index 561 Example 17.3 562 Appendix 17.A.4 Internal Rate ofReturn IRR 562 Appendix 17.A.5 Modifed Internal Rateof Return MIRR 563 Example 17.4 563 18 TermProjectsTP 565 18.1 TP1: Production of Acetone viathe Dehydration of Isopropanol 565 18.2 TP2: Production of Formaldehyde from Methanol Sensitivity Analysis 569 18.3 TP3: Production of Dimethyl Ether Process Economics and Control 570 18.3.1 Economic Analysis 570 18.3.2 Process Dynamics and Control 572 18.4 TP4: Production of Acetic Acidvia Partial Oxidation of Ethylene Gas 574 18.5 TP5: Pyrolysis of Benzene 575 18.6 TP6: Reuse of Spent Solvents 575 18.7 TP7: Solids Handling: Production of Potassium Sulfate from Sodium Sulfate 576 18.8 TP8: Solids Handling: Production of CaCO 3 -BasedAgglomerate asa General Additive 577 18.9 TP9: Solids Handling: Formulation ofDi-Ammonium Phosphate and Potassium NitrateBlend Fertilizer 577 18.10 TP10: “Flowsheeting Options” |“Calculator”: Gas De-Souring and Sweetening Process 578 18.11 TP11: Using Morethan One Property Method and Stream Class: Solid Catalyzed Direct Hydration of Propylene toIsopropyl Alcohol IPA 582

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xvi CONTENTS 18.12 TP 12: Polymerization: Production of Polyvinyl Acetate PVAC 586 18.13 TP 13: Polymerization: Emulsion Copolymerization of Styrene and Butadiene toProduce SBR 588 18.14 TP 14: Polymerization: Free Radical Polymerization of Methyl Methacrylate toProduce PolyMethyl Methacrylate 590 18.15 TP 15: LHHW Kinetics: Production of Cyclohexanone-Oxime CYCHXOXM via Cyclohexanone Ammoximation Using Clay-Based Titanium Silicalite TSCatalyst 592 Index 595

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PREFACE AspenPlus ® isaprocessfowsheetsimulator.Afowsheetsimulatorisacomputersoftware thatisusedtoquantitativelymodelachemicalprocessingplant.Ingeneralachemicalpro- cessing plant is comprised of the core reactor unit and different additional unit operations intheform of pre- and post-treatment steps as well. In this regard Aspen Plus is a very powerful tool that can be used to tackle differ- ent chemical process and unit operation calculation-based tasks in the form of modeling simulation optimization data regression design specifcations sensitivity analysis solids handlingdynamicsandcontrolenergysavingsafetycomplianceandfnallyprocesseco- nomic analysis. The book comprises 18 chapters. Each chapter except the last chapter constitutes a running tutorial that mainly covers one or more of common unit operations or chemical processes found in chemical industries. Moreover the book has end-of-chapter contex- tual problems. The last chapter contains comprehensive problems or term projects that requireanextensiveknowledgeofAspenPlusfeaturesandtoolsthatarealreadyexplained inprevious chapters. Overallthebookrefectsthefull-fedgenatureofAspenPlusimplementationtoversatile chemical process industries.

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THEBOOKTHEME Let me briefy visualize myendeavor or approach inwritingthisbook. I am acting as the car-driving trainer and I have the student as the trainee who will be prepared toget thedriving license. Thetrainingqualityorqualitytrainingonmybehalfasatrainerismerelygovernedby twoimportantfactors:thefrstisthecaritselfwhichincludesallbuilt-inelectromechanical features that will help the trainer and later the driver to carry out their mission and the secondisthehigh-caliberskilledtrainerwhoknowswellwhathe/shepresentstothetrainee sothat both can maximize their performance and that of thecar. On behalf of the trainee student the process of mastering car driving is to main- tain the burning desire to love and not fear of driving in parallel with the internal burning/combustion of the car itself without overburdening the learner’s shoulders by the intricate details of how a car starts/stops moves fast/slowly forward/backward and right/left. ThesophisticatedcarinourcaseistheAspenPlus ® full-fedgepackage.Humblyspeak- ing I am the trainer and I am presenting the training material in a very simplifed way atextinparallelwithimagetoletthetraineegraspandgrabthetrainingcoursewarereal fast with a minimum yet persistent effort. At the same time I do not really have to com- promise the genuineness of both the Aspen Plus package itself and chemical engineering fundamentals.

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ABOUTTHEAUTHOR Kamal I.M. Al-Malah Professor of Chemical Engineering graduate of Oregon State Uni- versity is currently at Higher Colleges of Technology Abu-Dhabi United Arab Emirates. Professor Al-Malah is Windows-based software developer https://sites.google.com/site/ almalahweb/software and MATLAB ® book author http://mhprofessional.com/product .phpisbn0071831282.

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WHATDOYOUGETOUTOFTHISBOOK The goal of writing this book is to get you started using Aspen Plus ® successfully and fast. I pinpoint the parts of Aspen Plus which you need to know without overwhelming details.IdomybesttoavoidpresentingcumbersomeAspenPlusfeatures.Ineachchapter I demonstrate an Aspen Plus-based running tutorial that you can refer to when you are doing your own homework classwork term project or even your own project. When you are done with this recipe textbook you will be able to effciently use Aspen Plus. You will also be ready to explore more of Aspen Plus features on your own. You might not be an Aspen Plus expert when you fnish this textbook but you will be prepared to become one – if that is what you like and persist to be. I hope you are probably more interested in being an expert at your own specialty as a professional chemical engineer. This textbook is designed to help you become a profcient Aspen Plus user as quickly as possible and toward the end of our virtual journey you will be able to examine different proftability indices ofan investment project related tochemical industries.

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WHOSHOULDREADTHISBOOK ThebookisprimarilywrittenforChemical Engineering studentswhoplantohaveacourse incomputer-aided design CAD or what iscalled virtual simulationi.e.drylab.Never- thelessthebookisexpandedtorefectthebroad-spectrumnatureofChemicalEngineering realm in terms of courses being taught and applications being tackled. The virtual jour- ney starts at the main station of basic principles of Chemical Engineering while it passes through transit stations of transport phenomena thermodynamics chemical reaction engi- neeringprocessmodelingoptimizationandsimulationthe“loveboat”glidesdownatthe fnalstationsofprocessdynamicsandcontrolenergysavingscenariosandsafetymeasures and fnally process economic analysis which declares theend of thejourney. Asfarasapplicationsareconcernedinadditiontoclassicalchemicalprocessesandunit operationsspecialprocessesarealsodiscussedinthebooknamelyelectrolytespolymer- ization drug characterization and solidshandling. Professionalchemicalengineerscanalsobeneftfromthebookasitgivesthemanoppor- tunitytoreplenishtheirskillsinmasteringapowerfultoolsuchasAspenPlus ® andstay updated at the same time. Keep in mind that Aspen Plus technology is progressively used in petroleum petrochemical and chemical industries at large. Moreover the developers of Aspen Plus keep augmenting their software with new features that will help the chem- ical engineer better achieve his/her mission at a pace of the speed of light compared with themanualdecrepitmodeofanycalculation-basedmodeltestingorcasestudy.Oncethe chemical engineer masters such a powerful tool he/she can use it in his/her daily profes- sional life. The book can be recommended to all chemical engineering unions chapters and organizations. Aspen Plus is a full-fedge package and appears cumbersome for beginners we need to facilitate the process of learning and later master such a powerful tool in a very short time without really making their life miserable. This textbook is recipe or cookbook type andthesolutionfortheprobleminhandisalgorithmicallypresentedviasuccessiveimages i.e.snapshotsfortherelevantAspenPlusplatforminparallelwiththetextualexplanation.

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NOTESFORINSTRUCTORS For me who has been spending his life digging in and pondering on chemical engineer- ing pathways while passing from student to instructor side where I have been learning and teaching at different schools in the Middle East and the United States I found that thetypicalclassicalundergraduatechemicalengineeringfundamentalcourseendsupwith design-orientedchapters.Towardtheendofthesemesteroraquarter/dimetheinstructor will fnd it diffcult to elaborate on the direct applications of what the student learns in the frst few chapters. My recommendation is that it is time to make a gearshift and make use of CAD fowsheet simulators such as Aspen Plus ® and have it customized to ft the instructor’s needs starting from the basic principles all the way up to the capstone design orsenior project course. Many chapters ofthistextbook can betuned-up toserve different fundamentalchemicalengineeringcoursesinadditiontothecomputer-aideddesigncourse itself. Bear inmind that the frstthree chapters of this textbook serve as introductory chapters for those who never used Aspen Plus technology before. I would recommend that the instructorgoesfrstoverthefrstthreechaptersbeforehe/shemovestoupcomingchapters. The instructor has to familiarize himself/herself with the new platforms of Aspen Plus and their newly added features which defnitely look different from previous versions of Aspen Plus. The book has contextual problems at the end of each chapter and one last dedicated chapterthatencompassestermprojectproblems.Inadditiontherewillbeadditionalprob- lemsfortheinstructorwheretheinstructorcanadjustnumbersinexam/quizproblemssuch thateachstudentwillhavehis/herownversion.Thiswillminimizetheprocessofcheating or the convective illegal knowledge transfer among students should the instructor attempt to ask the students to solve problems in a computer lab using Aspen Plus software. For example the frst or last fve numbers of a student’s ID alternatively the national ID or social security number can be taken as an input in the form of abcde and plugged in the question statement suchthat each student ends up withhis/herown version.

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ACKNOWLEDGMENT I would like to thank Aspen Technology Inc. for their support and co-operation. It should be emphasized that screen images of Aspen Plus ® Aspen Plus Dynamics Aspen Properties ® AspenEnergyAnalyzerandAspenProcessEconomicAnalyzerarereprinted with permission by Aspen Technology Inc. AspenTech ® aspenONE ® Aspen Plus ® Aspen Properties ® and the AspenTech leaf logo are trademarks of Aspen Technology Inc. Allrights reserved. A soft- or hardcopy reproduction of any screen image appearing in this textbook must bemade withaprior permit fromAspen Technology Inc.

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ABOUTTHECOMPANIONWEBSITE This book isaccompanied by acompanion website: www.wiley.com/go/Al-Malah/AspenPlusApplications The websiteincludes: • Exam and quiz problems forinstructors only • Solution manual for instructorsonly

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1 INTRODUCINGASPEN PLUS 1.1 WHAT DOES ASPEN STAND FOR ASPEN is an acronym of Advanced System for Process ENgineering. It is based on a fowsheet simulation. Notice that Aspen was replaced by Aspen Plus ® in latest versions. A fowsheet simulation is a computer software that is used to quantitatively model a chemical processing plant which in addition to the core reactor unit also includes pre- and post-treatment steps. Thus simulation of an entire chemical process starting from the raw material to the fnal fnished product is symbolically represented by different icons where each icon stands for a unit operation chemical process input/output material stream input/output energy stream or input/output electric/pneumatic signal. In terms of Aspen Plus fowsheet notation there will be a block icon and stream icon. The iconic fowsheet simulator such as Aspen Plus allows us to predict the behavior of a process using basic engineering relationships. As taught in process modeling and simulation coursethatwedescribeagivenphysicali.e.realprocessbyasetoflinearlyindependent algebraic/differential equations such that the number of written equations will be equal to thenumberofvariablesorunknownquantitiesandthephysicalprocessassuchissaidto be specifed or described by an equivalent mathematical portray. In general writing such equations stems from • balance equations of extensive thermodynamic properties such as mass mole and energy • thermodynamic relationships for reacting and non-reacting medium such as phase and chemical equilibrium • ratecorrelations for momentum heat and mass transfer • reaction stoichiometry and kinetic data • physical constraints imposed onthe process. AspenPlus ® :ChemicalEngineeringApplications First Edition. Kamal I.M. Al-Malah. ©2017JohnWileySons Inc.Published 2017byJohnWileySons Inc. CompanionWebsite: www.wiley.com/go/Al-Malah/AspenPlusApplications

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2 INTRODUCING ASPEN PLUS Given reliable thermodynamic data sensible operating conditions and rigorous equip- ment models Aspen Plus can simulate actual plant behavior. Aspen Plus fowsheet simulation enables us torunmany taskssuch as • conduct “what if”tests • design specifcation plant confguration checks • carryout “de-bottlenecking of constricting partsof aprocess” studies • perform sensitivityanalyses • runoptimization investigations. WithAspenPlusprocesssimulatorwecandesignbetterplantsandincreaseproftability inexistingplants.AspenPlusfowsheetsimulationisusefulthroughouttheentirelifecycle of a process starting from a rough RD concept/idea and zooming to a refned projected idea with a different level of details including conceptual engineering basic engineering detailed engineering and fnally plant operations and revamps. 1.2 WHAT ISASPEN PLUS PROCESS SIMULATION MODEL In general a chemical process consists of chemical components or different species that aresubjecttophysicalorchemicaltreatmentorboth.Thegoalofapplyingsuchtreatment steps is basically to add a value or convert the raw cheap materials into valuable fnal fnished products gold. The physical treatment steps may include mixing separation de-mixing such as absorption distillation and extraction and heating/cooling with or withoutaphasechange.Ontheotherhandthechemicaltreatmentstepinvolvesasingleor setofparallelseriesormixedreactionswhichresultsinachangeofchemicalidentityof each of reacting species. Such treatment steps are visualized in the fowsheet simulator as components being transported from aunit or block toanother through process streams. We can translate a process into an Aspen Plus process simulation model by performing the following skeletal necessary steps: 1. Specify the chemical components in the process. We can fetch these components from Aspen Plus databanks or wecan introduce them toAspen Plus platform. 2. Specify thermodynamic models to represent the physical properties of the compo- nents and mixtures intheprocess. These models arebuilt intoAspen Plus. 3. Defne the process fowsheet: • Defne theunit operations inthe process. • Defne theprocess streamsthat fow into and out of the unit operations. • Select models from Aspen Plus Model Library to describe each unit operation or chemical synthesisand place them onto theprocess fowsheet. • Label each unit operation model i.e. block as part of the process fowsheet and connect theblocks viaprocess streams. 4. Specify the component fow rates and the thermodynamic conditions temperature pressure and composition ofall feed streams. 5. Specify theoperating conditions for theunit operation models i.e.blocks.

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LAUNCHING ASPEN PLUS V8.8 3 We can deliberately change any of the specifcations listed in steps 1–5 such as fow- sheet scheme operating conditions and feed compositions run the show compare the newresultswiththeoldpreviousresultsandthendecidewhethertoacceptorrejectnew process alternatives. Keep in mind that changing the list of components means that we in general test for a new alternative process type rather than simply a modifed version of the same process in terms of the type and number of physical and/or chemical treatment stepsneeded toend up withthesame fnal fnished product. 1.3 LAUNCHING ASPEN PLUS V8.8 Figure 1.1 shows where to look up Aspen Plus through Windows 8.1 Startup menu. First click on the Windows icon keyboard button or click on the bottom left Windows screen icon to bring the frst tile-based interface the Metro UI and second on the down arrow to help the user bring the second tile-based interface to front where it shows Aspen Plus V8.8icon. Figure1.1 GotoWindows8.1Startupmenuclickonthedownarrowkeyiconleftandlookfor “Aspen Plus V8.8” iconright. Alternativelyonthefrsttiledinterfacefortabletskeyinthekeyword“aspen”inWin- dows Search text box and Windows 8.x will furnish the menu with applications that are related to “aspen” and fnally click on “Aspen Plus V8.8” icon as shown in Figure 1.2. OntheotherhandforWindows10typetheword“aspen”atthebottom-leftcornerofthe maindesktopjustrighttotheWindowsiconandWindowsCortanawillpopulatetheuser withalistof potential aspen-based applications orfles.

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4 INTRODUCING ASPEN PLUS Figure 1.2 On the frst tiled interface for tablets key in the keyword “aspen” in Windows Search text box and Windows 8.x will furnish the menu with applications that are related to “aspen”. Click on “AspenPlusV8.8” toopen. 1.4 BEGINNING A SIMULATION Figure 1.3 shows the frst main window where the user may select different online or offine available resources including product updates and training materials. You have to be a registered user to beneft from the online available resources. Click on “Product Updates”icontoseewhetheryoursoftwareisuptodateorrequiresinstallingnewpatches or packs. The user can select “Open” icon to open an existing fle or select “New” icon to open anew fle. Wewilldiscuss thisissueshortly. Figure 1.3 Aspen Plus frst window where the user is furnished with “Resources” ribbon and the choice toopeneither an existingor new flei.e.simulation project.

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BEGINNING A SIMULATION 5 On the other hand clicking on “Training” icon and selecting “Video Tutorials” sub- category under the main category called “Filters” which appears on the left pane will populate your screen with different available online training resources under “Options” tab as shown inFigure 1.4. Figure1.4 Clickingon“Training”iconwillpopulatetheuser’sscreenwithdifferentonlinetraining media that are available to theregistereduser. In addition the user may beneft from offine available resources via clicking on “Examples”iconwhereshe/hecanselectfromdifferentpreparedcasestudies.Thosecanbe foundintheinstallationfolderforexample:“C:\ProgramFilesx86\AspenTech\Aspen Plus V8.8\GUI\Examples”. Figure 1.5 shows a portion of such offine examples that are delivered withAspen Plus package. Figure 1.5 Aspen Plusprovides offineexamples where the usercan beneft from.

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6 INTRODUCING ASPEN PLUS As shown in Figure 1.3 we will choose opening a new fle by clicking on “New” icon and the template window shows up where the user can select from different chemical industry–based templates. We will select “Specialty Chemicals with Metric Units” template as shown in Figure 1.6 bottom. Notice that the other counterpart tem- plate–“ChemicalswithMetricUnits”top–willdifferinreportingthebasisforstream composition and the units for pressure volumetric fow rate and rate of energy power as shown in“Preview” panel inFigure 1.6. Figure 1.6 The difference between “Chemicals with Metric Units”topand“Specialty Chem- icals with Metric Units” template bottom lies in what metric units some physical properties are expressed. Clickon“Create” button shown at the bottom of the template window and the main window of Aspen Plus V8.8shows up asinFigure 1.7. STARTINGfromthetop-leftcornerwhilemovingrow-wisetotherighthorizonuntilwe fnally reach the bottom-right corner let us familiarize ourselves with what is seen in the

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BEGINNING A SIMULATION 7 Figure 1.7 Themainwindow ofAspen Plus fowsheet simulator. formofapaneribbontoolbarstatusbarinputformandtabasshowninFigure1.8.We briefy introduce each item with the understanding that as the user keeps digging he/she will become more comfortable because each item represents a shortcut key to one of the important features of Aspen Plus. Figure1.8 The top portion of Aspen Plus V8.8 main window contains the “Quick Access” tool- bar top bar the “Top” toolbar the help-related textbox and button middle bar and ribbon tabs associatedwith each “Top” toolbar menu bottombar. The“QuickAccess”toolbarcontainsthemostcommonlyusedfunctionsinAspenPlus suchasthe“Run”“Restart”and“Next”buttons.Noticethatotherbuttonscanbeincorpo- ratedintothistoolbarsimplybyright-clickingonthedesiredfunctionfoundinthe“Home” ribbonorinanyothermenuof“Top”toolbarandaddingitto“QuickAccess”toolbar.The “Top”toolbarhas“File”“Home”“View”“Customize”and“Resources”menuswhere each menu has many submenu items that appear in the form of ribbon tabs. For example the“Home”ribbonisshowninFigure1.8anditcontainsmanytabs.Each“Home”ribbon tabwillbe explained shortly. The frst “Home” ribbon tab called “Clipboard” group pertains to clipboard func- tionssuch as “Copy” “Cut” and “Paste” buttons. The second “Units” group tab deals with the unit sets. You can click on “Unit Sets” icon toopen the formfor entering anew setof your own i.e.acustomized set ofunits. Thethird“Navigate”grouptabrepresentsthenavigationpanewheretheusercanopen forms to choose components select or modify property methods and create or edit chem- istryandpropertysets.Noticethatthistabhasthesamefunctionsasthoseof“Navigation” pane shown laterinFigure 1.10.

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8 INTRODUCING ASPEN PLUS The fourth “Tools” group tab allows the user to draw chemical structures to better estimate property parameters for a user-defned component to make use of the “Methods Assistant” wizard in defning the most suitable property method and to retrieve/clean model parameters. The ffth “Data Source” group tab deals with seeking additional components data- banks such as National Institute of Standards and Technology NIST/Thermo-Data Engine TDE and DECHEMA experimental thermophysical properties of pure sub- stances and mixtures available on the website this is a paid service requiring an account setup directlywith DECHEMA. The sixth “Run Mode” group tab allows the user to select the mode of run i.e. sim- ulation. The run modes are analysis estimation and regression. In “Analysis” mode the usermayanalyzepropertiesofcomponents.In“Estimation”modetheusermayestimate theunknownpropertiessuchascriticalpropertiesforaknownmolecularstructureandthe modelparametersforpurecomponentsandmixturesi.e.pairwiseinteractionparameters. In“Regression”modetheusermayftthemodeltodatatakenfromAspenPlusdatabanks “NIST/TDE” databank “DECHEMA” databank or auser’sdatabank. The seventh “Run” group tab lumps all functions related to the simulation solver including the “Next” “Run” and “Reinitialize” i.e. purge simulation results buttons. Thecalculationstatusi.e.convergencevs.divergenceandpresence/absenceoferrorsand warnings can be viewed via clicking on “Control Panel” button. The eighth “Summary” group tab represents the summary where the user can view print and save thesimulation input fles history and reports. The ninth and last “Analysis” group tab will become active once the user defnes the propertysetsandpropertymethodsfortheselectedcomponents.Thiswillallowtheuser to carry out and present both tabulated and graphical types of data analysis for a single- i.e.pure binary- ormulticomponent system. The help-related search text box can be used to enter a key word and let Aspen Plus search for the relevant online resources. Clicking on “Show Help” icon will bring the built-inoffine help database as shown inFigure 1.9. Figure 1.9 Theoffinebuilt-inhelpdatabasecanbebroughtviaclickingonthe“ShowHelp”icon shown attheright top corner of the AspenPlus v8.8main window.

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BEGINNING A SIMULATION 9 AsshowninFigure1.10the“Navigation”paneiswheretheusercannavigatetoevery stage of the property development process. This pane has a hierarchy top to bottom of input forms. Figure 1.10 The “Navigation” pane that acts as folder/fleexplorer. Figure1.11showsasampleofaninputformwheretheusertypesinprocesscomponents. Figure 1.11 The inputformforentering components involved intheprocess.

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10 INTRODUCING ASPEN PLUS Figure 1.12 shows the “Environments” pane where the user is granted the luxury to switchfromthe“Properties”to“Simulation”“SafetyAnalysis”or“EnergyAnalysis” environment. Those types of environment areexplained indetail inlater chapters. Figure 1.12 The “Environments” pane where the user has the fexibility to switch from one to another environment. NOTE 0:Stayingunder“Properties”environmenttheuserdoesnothavetospecifya fowsheetonlycomponentsandthepropertymodelareneededatthisstageforanalysis estimationandregressionpurposes. Figure 1.13 shows the “Status” bar where the status indicator is seen which tells the user where he/she stands in terms of the progress of process simulation and the “Check Status” button which can be used by the user to see the messages issued by Aspen Plus simulator or solver. Figure 1.13 The “Status” bar where the user is updated about thestatusquo of Aspen Plus simu- lator or solver. FinallyFigure1.14showsthe“Zoom”barwithwhichtheusercanzoominandoutthe input form under concern. Figure 1.14 The “Zoom”bar where the user mayzoom inor out the input formunder question. After introducing the main features of Aspen Plus main window let us pinpoint some other issues that will help the user better deal with Aspen Plus products. Notice that in “Navigation”paneseeFigure1.10therearedifferentcolorcodesadoptedbyAspenPlus.

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BEGINNING A SIMULATION 11 Forexampleahalf-flledredcircleindicatesthatinputdataarerequiredforthesimulatorto proceed.IngeneralFigure1.15showsdifferentcolor-codedsymbolsusedbyAspenPlus. Figure1.15 Different color-coded symbols used by Aspen Plus to help the user better understand thestatus of thesolver.SeePlatesectionforcolorrepresentationofthisfgure. OntheotherhandFigure1.16showsthefeldcolorcodingfortextswithininputforms. Figure1.16 The feld color coding adopted by Aspen Plus for the text of an input form which is either editable ornoneditable bythe user.SeePlatesectionforcolorrepresentationofthisfgure.

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12 INTRODUCING ASPEN PLUS As shown in Figures 1.10 and 1.11 Aspen Plus requires us to enter the components involved in the process. A component can be either picked up from one of Aspen Plus built-incomponentdatabanksorcanbedefnedbytheuserandinthelattercaseitiscon- sideredasanon-databankmember.Figure1.17showsthedefaulti.e.selecteddatabanks assigned by Aspen Plus depending on of course the type of template initially chosen by the user. The user may select however one or more from the databanks available on the left side and add to the list of selected databanks on the right side using the in-between arrow keys. Figure 1.17 The selected databanks are shown on the right side under “Enterprise Database”or “Databanks”tab. AsshowninFigure1.18“NISTV88NIST-TRC”databankwasaddedtotherightlist. ThenewdatabaseisprovidedunderanagreementwiththeNationalInstituteofStandards andTechnology’sNISTStandardReferenceDataProgramSRDP.Thepropertyparam- etersandtheexperimentaldatausedwerecollectedandevaluatedbytheThermodynamics Research Center TRCusingthe NIST ThermoData Engine TDE and the NIST-TRC sourcedataarchivalsystemforexperimentalthermophysicalandthermochemicalproperty data. The “NIST-TRC” source data is one of the world’s most comprehensive collections of such data.

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