Introduction to Chemical Engineering Analysis Using Mathematica: for Chemists, Biotechnologists and Materials Scientists PDF
Preview Introduction to Chemical Engineering Analysis Using Mathematica: for Chemists, Biotechnologists and Materials Scientists
For Karin Introduction to Chemical Engineering Analysis Using Mathematica Introduction to Chemical Engineering Analysis Using Mathematica For Chemists, Biotechnologists and Materials Scientists Second Edition Henry C. Foley New York Institute of Technology New York, NY, United States AcademicPressisanimprintofElsevier 125LondonWall,LondonEC2Y5AS,UnitedKingdom 525BStreet,Suite1650,SanDiego,CA92101,UnitedStates 50HampshireStreet,5thFloor,Cambridge,MA02139,UnitedStates TheBoulevard,LangfordLane,Kidlington,OxfordOX51GB,UnitedKingdom Copyright©2021ElsevierInc.Allrightsreserved. Nopartofthispublicationmaybereproducedortransmittedinanyformorbyanymeans,electronicormechanical,including photocopying,recording,oranyinformationstorageandretrievalsystem,withoutpermissioninwritingfromthepublisher. Detailsonhowtoseekpermission,furtherinformationaboutthePublisher’spermissionspoliciesandourarrangementswith organizationssuchastheCopyrightClearanceCenterandtheCopyrightLicensingAgency,canbefoundatourwebsite: www.elsevier.com/permissions. ThisbookandtheindividualcontributionscontainedinitareprotectedundercopyrightbythePublisher(otherthanasmaybe notedherein). Notices Knowledgeandbestpracticeinthisfieldareconstantlychanging.Asnewresearchandexperiencebroadenourunderstanding, changesinresearchmethods,professionalpractices,ormedicaltreatmentmaybecomenecessary. Practitionersandresearchersmustalwaysrelyontheirownexperienceandknowledgeinevaluatingandusingany information,methods,compounds,orexperimentsdescribedherein.Inusingsuchinformationormethodstheyshouldbe mindfuloftheirownsafetyandthesafetyofothers,includingpartiesforwhomtheyhaveaprofessionalresponsibility. Tothefullestextentofthelaw,neitherthePublishernortheauthors,contributors,oreditors,assumeanyliabilityforanyinjury and/ordamagetopersonsorpropertyasamatterofproductsliability,negligenceorotherwise,orfromanyuseoroperationof anymethods,products,instructions,orideascontainedinthematerialherein. LibraryofCongressCataloging-in-PublicationData AcatalogrecordforthisbookisavailablefromtheLibraryofCongress BritishLibraryCataloguing-in-PublicationData AcataloguerecordforthisbookisavailablefromtheBritishLibrary ISBN:978-0-12-820051-3 ForinformationonallAcademicPresspublications visitourwebsiteathttps://www.elsevier.com/books-and-journals Publisher:SusanDennis AcquisitionsEditor:AnitaA.Koch EditorialProjectManager:LizHeijkoop ProductionProjectManager:BharatwajVaratharajan Designer:MarkRogers TypesetbyVTeX Contents Introduction ...................................................................... ix Abitofanexplanationofthisbook .................................................. ix Chaptersubjectsinbrief .............................................................. xi Conclusion............................................................................. xx Chapter 1:AprimerofMathematica ............................................. 1 GettingstartedinMathematica ....................................................... 1 Basics .................................................................................. 1 Equals(=),equalequals(==),andcolonequals(:=) ................................ 2 Simplecommands ..................................................................... 12 Table.................................................................................... 14 Do ...................................................................................... 23 Plot,Plot3D,andContourPlot ........................................................ 26 Module................................................................................. 33 ListPlot,Fit,andShow ................................................................ 49 DSolve ................................................................................. 81 NDSolve ............................................................................... 93 NonlinearModelFit .................................................................... 98 Point:anotherversatilegraphicsmethod............................................. 107 Conclusion............................................................................. 129 Chapter 2:Elementary singlecomponentsystems ................................. 131 Theconservationofmassprinciple,theconceptofacontrolvolume .............. 131 Fillingavesselwithapelletedsolid:conservationofmass..................... 136 Pressurizinganinitiallyevacuatedtankwithanidealgas....................... 153 Fillingacylindricaltank .......................................................... 158 Timedependentflows ............................................................. 162 Geometryandtheleft-handsideofthemassbalanceequation ..................... 167 Thetriangulartrough.............................................................. 167 Theconicaltank ................................................................... 175 Thesemi-cylindricaltrough....................................................... 179 Thesphericaltank ................................................................. 191 Depositingapolymercoatingonadisk .......................................... 192 v Contents Conclusion............................................................................. 200 Chapter 3:The draining tank and related systems ................................ 201 Theright-handsideofthemassbalanceequation ................................... 201 Mechanismofwaterflowfromatank:Torricelli’slaw-aconstitutive relationship.................................................................. 202 Experimentandtheconstitutiveequation ........................................ 203 Solvingforlevelasafunctionoftime............................................ 212 Massinput,output,andcontrol................................................... 214 Control ............................................................................. 223 Conclusion............................................................................. 232 Chapter 4:Multiple componentsystems .......................................... 233 Theconceptofthecomponentbalance............................................... 233 Concentrationversusdensity.......................................................... 234 Thewell-mixedsystem................................................................ 235 Multicomponentsystems.............................................................. 236 Liquidandaninsolublesolid ..................................................... 236 Liquidandsolublesolid........................................................... 247 Densityasafunctionofconcentration ........................................... 261 Washingasaltsolutionfromavessel............................................. 271 Thepulseinputtracerexperimentandanalysis.................................. 277 Mixing.............................................................................. 285 Conclusion............................................................................. 292 Chapter 5:Multiple phases-masstransfer ....................................... 295 Saltdissolution ........................................................................ 296 BatchDissolution.................................................................. 298 Fittothebatchdata................................................................ 304 Semi-continuous:pseudo-steadystate............................................ 308 Fullsolution........................................................................ 310 Liquid-liquidsystem .................................................................. 318 Fullycontinuous................................................................... 318 Conclusion............................................................................. 355 Chapter 6:Adsorptionand permeation ........................................... 357 Adsorption ............................................................................. 357 Semi-continuousadsorption....................................................... 381 Continuousadsorption............................................................. 404 Plugflowandasimpleratemodel................................................ 425 Langmuirandplugflowanumericalapproach .................................. 439 Permeation............................................................................. 454 vi Contents Permeationasadsorptionanddiffusion .......................................... 455 Expandingcell..................................................................... 473 Conclusion............................................................................. 482 Chapter 7:Reacting species-kinetics and batchreactors.......................... 483 Howchemicalreactionstakeplace ................................................... 484 No-flow/batchsystem ................................................................. 488 Simpleirreversiblereactions-firsttoNth order ..................................... 489 Firstorderkinetics................................................................. 489 Secondorderkineticsoverall ..................................................... 499 Nth order........................................................................... 506 Reversiblereactions-chemicalequilibrium ......................................... 509 Complexreactions..................................................................... 525 Series............................................................................... 525 Series-parallelreactions........................................................... 539 Highdilution....................................................................... 544 Langmuir-Hinshelwood-Hougen-Watsonkinetics(LHHW).................... 551 Microbialpopulationdynamics................................................... 569 Temperaturedependenceofreactionrates ....................................... 575 Conversionandselectivity ............................................................ 600 Timerequiredforaspecifiedconversion............................................. 605 Effectofstoichiometry................................................................ 609 Complexreactionsandthesteadystateapproximation.............................. 612 Lindemann......................................................................... 612 Rice-Herzfeld...................................................................... 620 Conclusion............................................................................. 632 Chapter 8:Flowreactors ......................................................... 633 Introductiontoflowreactors .......................................................... 633 Semi-continuoussystems,fed-batchreactors .................................... 633 Secondorderkineticsandnegligiblevolumechange............................ 651 Pseudo-steadystateanalysisinFBR.............................................. 675 Numericalanalysisofthefed-batchreactor...................................... 678 Constantvolumebatchreactor(CVBR)versusthefed-batchreactor(FBR)... 681 Accountingforlargervolumechange ............................................ 693 Economicpotential................................................................ 697 Continuousflowreactors.............................................................. 712 Continuousflowstirredtankreactor.............................................. 713 SteadystateCSTRwithhigherorder,reversiblekinetics ....................... 718 Timedependence-thetransientapproachtosteadystateandsaturation kinetics...................................................................... 724 vii Contents Plugflowreactors...................................................................... 734 SolutionofthesteadystatePFR.................................................. 738 Mixingeffectsonselectivities:seriesandseries-parallelwithCSTRandPFR 746 PFRasaseriesofCSTRs ......................................................... 755 Residencetimedistribution ....................................................... 770 TimedependentPFR-completeandnumericalsolutions........................... 788 Introduction........................................................................ 788 TransientPFR...................................................................... 789 Equations,initialconditions,andboundaryconditions.......................... 789 Conclusion............................................................................. 806 Chapter 9:Additional examples .................................................. 807 Anotherlookatthelevel-controlledtank............................................. 807 Perturbationoftheinletflowrate&control ......................................... 807 Integrationthroughandbeyondthedisturbance ..................................... 809 Proportional,integral,anddifferentialcontrol ................................... 815 Generalmodelfortitrationofastrongacidwithastrongbase ..................... 824 ThepHofaweakacid................................................................. 840 Thepartialmolalvolumeofsolution................................................. 846 ThedesignofanoptimalCSTR ...................................................... 859 Alinearoptimization.................................................................. 865 Linearornon-linear? .............................................................. 870 Differentialequationswithimpulsefunctions ................................... 875 Perceptrons:primitiveAI ......................................................... 879 Thetransferfunction .................................................................. 880 Theartificialneuron(AN)............................................................. 885 TruthTablesforlogicgates ....................................................... 894 MapsandgraphicalinterpretationofANDandOR ............................. 896 Agraphicalaside .................................................................. 897 TheNOTgateorinverter.......................................................... 902 Combinationsofgates............................................................. 905 TheNANDandNORgates ....................................................... 909 Summaryoftwoinputlogicgates................................................ 918 Conclusion............................................................................. 921 Index ............................................................................. 923 viii Introduction A bit of an explanation of this book Welcometo“AnIntroductiontoChemicalEngineeringAnalysisUsingMathematica.”This bookisaguideforanyonewhoisinterestedinmathematicalmodeling,andespeciallyofsys- temsthatinvolvechemistry.Whileaimedatchemicalengineeringstudentsandprofessionals, itmaybeevenmoreusefultochemists,biochemists,biotechnologists,materialsscientists, biologists,andanyoneelsewhowantstobuildmodelsusingbasicconceptsofanalysisand Wolfram’sComputinglanguage,Mathematica. Modelingisbasedoncomputationalthinkingtheskillofanalysiscombinedwiththeuseof computationalmethods,bothsymbolicandnumerical,andwithgraphicalinformationdis- plays.Thiscombinationmakesbuildingmodelsandusingthemtoconveythebehaviorofa systemfasterandeasiertodothaniteverhasbeen.Theprocessofimprovingamodelisa cycleofcomparisonofthemodel’sbehaviortomeasurementsmadeoftherealsystem.Suc- cessiveimprovementsbringthemodelclosertorealitywitheachcycleofcomparisonand subsequentchange.Amodelcanbeginatarelativelyprimitivestatewithananalysisthatac- countsforonlythegrossestfeaturesofthesystem,andthenitcanberefinedaswelearnmore aboutthesystemandincorporatethatlearningintotheanalysis.Thatthefirstmodeldevel- opedisoftena“learning”modelisfine,becausethelearningmodelisthestartingpointfor theconstructionofmoresophisticatedmodelthatmayeventuallybringtogetherasetofsub- modelsthatareintegratedintooneoverallmodel.Ultimately,amodelapprehendsthatwhich weknow,andneedtoknow,aboutthesystem. Thereasonthelearningmodelisimportantisthatitletsusbeginthethoughtprocessesof analysis.Modeling,issomewhatlikewriting-bothhavetostartbyputtingideasdownonpa- per.Gettingstarted,isthemostimportantstepsinthewholeprocess.Beingabletogetstarted becomeseasier,ifwebeginwithalearningmodel.Thisbookteachesyouhowtobuildsimple learningmodelsbydoingstraightforwardanalysisandcomputing.Ifyoucangetthespiritof doingmodelsatthelevelofthisbook,thenitiscertainthatyouwillhaveanimportantand usefulskillandyouwillbereadilyabletotransitiontomorecomplexandsophisticatedanal- ysesandmodelsasyourknowledgegrowsandastheproblemdemands. ix
The list of books you might like
