Aspen-Plus石油炼制过程的模拟

AspenPlus高级班石油炼制过程的模拟2023/2/5高级精馏在化工领域的应用RADFRAC单元操作模型的应用、收敛方法和参数的选取；三相蒸馏、萃取蒸馏、共沸蒸馏和反应蒸馏等特殊蒸馏过程的模拟；电解质过程的模拟等。

2023/2/5石油炼制过程的模拟方法

以一套典型的常减压装置为主线，讲授下列5部分内容：1)油品馏程分析数据的处理；2)初馏塔的模拟计算；3)常压塔的模拟计算；4)减压塔的模拟计算；5)计算原油中所含杂质硫在各种产品中的分布。

2023/2/5掌握如下新的内容：

1)石油炼制过程蒸馏单元的模拟步骤；2)流程模拟软件中石油馏份的特殊处理方法；3)掌握PETROFRAC单元操作模型的使用；4)产品中杂质分布的计算。

2023/2/5复习：建立流程模拟模型的基本步骤确定模拟范围，绘制模拟流程图；将已知条件输入相应表格：SETUPCOMPONENTSPROPERTIESSTREAMSBLOKS。运行模拟计算检查结果2023/2/5

油品分析和虚拟组分

目标:学习输入石油分析数据,创建调和组分(油品混合),以及表征石油馏分AspenPlus

参考资料:

UserGuide,Chapter6,SpecifyingComponents

UserGuide,Chapter32,PetroleumAssaysandPseudocomponents本章概况表征石油流体的挑战油品馏程数据和性质数据的输入蒸馏曲线的转换生成虚拟组分油品调和用户自定义的虚拟组分2023/2/5石油的表征石油是烃类化合物和杂质组成的宽沸程的混合物.石油或石油馏分的性质取决于它们的组成，但是其组成难以定量分析石油用虚拟组分(pseudocomponents)来表征,虚拟组分是蒸馏曲线上较小的片断.每一个虚拟组分的基本性质由下列关联式来计算:分子量(MW)正常沸点(TBP)重度或者WatsonUOPK2023/2/5Assays和Blends组分AssayData(TBP,D86)PseudocomponentsAssay-1Assay-2BlendPseudocomponents输入 输出2023/2/5输入油品馏程分析数据1. 在DataBrowser下面,选择Components,然后选Assay-Blend.2. 在Assay-Blend目标管理器下,创建一个assay并且提供一个名称(ID).3. 在BasicData\DistCurve表中，输入蒸馏曲线数据.4. 在BasicData\DistCurve表中，输入油品重度，或者在BasicData\Gravity/UOPK表中，输入重度曲线或UOPK曲线数据.虚拟组分将在模拟计算之初自动生成.2023/2/5ASSAY组分的表征输入蒸馏曲线蒸馏曲线分割为很多个片段(TBPCutpoints)每一个片段生成一个虚拟组分每一个虚拟组分的性质以下列参数的平均值为基础进行估算：分子量(MW)正常沸点(NBP)密度或比重(APIorSG)虚拟组分的流率在流股结果表中报告.2023/2/5Assay组分BasicData\DistCurve表2023/2/5重度的规定油品整体重度比重API重度重度曲线比重API重度API=141.5/SG-131.5WatsonUOPK曲线NBP=(UOPK*SG)32023/2/5Assay组分BasicData\Gravity/UOPK表2023/2/5蒸馏曲线蒸馏曲线类型:ASTMD86,D1160,D2887实沸点蒸馏曲线(TBP)(重量或体积基准)真空蒸馏曲线(重量或体积基准)每一个蒸馏曲线至少需要输入4个点.报告中的蒸馏曲线为:ASTMD86ASTMD1160Vacuum(liquidvolume)2023/2/5油品分析数据计算程序Version9或更新的版本Version8或更老的版本蒸馏曲线转换方法ASTMD86至实沸点(Trueboilingpoint)EdmisterEdmister-OkamotaPMLD2887至TrueboilingpointAPI87API94TBPWT蒸馏曲线计算方法2023/2/5曲线处理选项初馏点(Initialboilingpoint)0.5%(缺省)终馏点(Finalboilingpoint)99%(default)外延方法Probability(缺省)Quadratic锯齿段拟合方法Harwell(缺省)Hermite曲线处理选项在Components\PetroCharacterization\AnalysisOptions\AssayProcedure表上.蒸馏曲线计算方法(续)2023/2/5虚拟组分从油品分析数据生成.你可以规定切割温度或切割片段(窄馏份)的宽度.Components\PetroCharacterization\Generation\Cuts表上，规定切割温度等.缺省值是40个切割点:TBPRange(F)100-800No.ofCutsIncrements(F)800-1200

1200-160028842550100切割温度2023/2/5蒸馏曲线的切割2023/2/5虚拟组分性质

用Watson/UOP“K”和API关联式估算：典型地 10<UOPK<13

此处 10.0表示芳烃含量很高 13.0表示烷烃含量很高

2023/2/5所生成虚拟组分的命名Components\PetroCharacterization\Generation规定命名选项自动生成的名称可以是:实际计算出来的NBP(如:PC864F)沸程下限温度(如:PC800F)沸程上限温度(如:PC900F)用户选择的顺序号(如:PC1,PC2…)用户定义的名称2023/2/5附加的ASSAY组分数据可选的性质曲线:轻端组分分析(light-endsmatching)比重或者API重度曲线WatsonUOPK曲线分子量曲线性质曲线(多于30种性质)绝对&动力粘度曲线如果输入油品整体性质，单独的曲线数值被归一到整体性质.可以应用用户性质曲线2023/2/5Assays组分的用户性质曲线在表格Properties\Advanced\UserProperties上，建立用户性质曲线.在表格中激活AssayCurveproperties选项在表格Component\Assay/Blend\PropertyCurve上，输入用户性质曲线的数据。对于高度非线性调和现象，如马达法辛烷值，建议使用用户调和子程序。2023/2/5性质曲线的流股计算 性质曲线被切割为与虚拟组分同样多的片段。为每一个片段计算出平均的性质数值流股的性质数值由虚拟组分以及它们在流股中的浓度做调和计算得出计算虚拟组分混合物的性质，有各种调和计算选项。2023/2/5石油性质的调和石油性质调和方法:标准体积(StdVol)摩尔(Mole)质量(Mass)用户(User)用于性质计算的用户调和子程序：用户子程序名称为BLDPPU.“调和选项”可以规定.性质可以外延与否.在Components\

PetroCharacterization\AnalysisOptions\BlendOptions\上，调和规则可以修改。2023/2/5Assay(石油)数据库软件内置的Assay数据库，包含194种石油的分析数据,其中有:

-来自Phillips石油数据库的10种石油

-来自文献的184种石油

在ComponentSpecifications\Petroleum表，查找Assay库文件。和PhillipsPetroleum石油分析数据库的接口，其中收集了超过250种石油的数据*需要与PhillipsPetroleum签订License协议。2023/2/5Assay(石油)数据库每一种石油至少提供如下信息:馏程分析重度和/或重度曲线某些石油有附加的性质曲线:苯胺点闪点 凝固点硫含量金属含量硫醇研究法/马达法辛烷值烷烃环烷烃芳烃雷诺蒸汽压2023/2/5访问Assay数据库 2023/2/5创建Blends组分通过规定blend中每个assay的百分数，由assay创建blend.调和可以是Mole,Mass,或StdVol基准.要创建一个blend，至少规定2个assay组分.一个blend中的assay的数量没有上限.报告中的蒸馏曲线为:ASTMD86ASTMD1160Vacuum(liquidvolume)2023/2/5输入Blend组分1. 在数据浏览器DataBrowser,选择组分Components,然后选择Assay-Blend.2. IntheAssay-Blend目标管理器,创建一个blend并且提供名称(ID).3. 在Mixture\Specifications表上，输入各assay组分的调和分数.虚拟组分将在模拟计算之初自动生成.2023/2/5Blend组分之Mixture\Specifications表2023/2/5Assay/Blend结果Assay/blend的计算结果可以在表格Components\Assay-BlendResults查看.每一个assay或blend组分有自己单独的结果表格(resultsform).

2023/2/5Generation\Cuts表格2023/2/5虚拟组分的生成缺省情况,一套完整的虚拟组分由输入的所有assay组分生成.在表格Components\PetroCharacterization\Generation\Specifications上，用户可以规定生成虚拟组分时，包括/不包括特别的assay.只有在表格Generation\Specifications上选出的assays和blends，才用于生成虚拟组分。在表格Generation\Specifications上未选用的Assaysorblends，将不被使用，它们的IDs不在流股输入表格上显示.2023/2/5虚拟组分命名虚拟组分的命名约定计算出的沸点(例如：PC125,PC136,…)规定起始编号切割温度上限(例如：将225-250F窄馏份命名为PC250)切割温度下限(例如：将225-250F窄馏份命名为PC225)用户定义的名称列表在表格Components\

PetroCharacterization\Generation\NamingOptions上，规定命名约定.如果你要将AspenPlus生成的虚拟组分与反应器或者分离模块关联，应使用用户定义的名称列表。2023/2/5Generation\NamingOptions表格2023/2/51. 在表格Components\Specifications\Selection上，

输入组分IDs并且选择Pseudocomponent类型。2. 在表格Components\Pseudocomponents\Specifications上,至少提供下列参数中的两个：正常沸点NBP,重度Gravity(Specificgravity,APIgravity,orLiquiddensity),分子量MolecularweightAspenPlus可以估算第3性质.3.可选地,输入与温度相关的性质数据:液相粘度Liquidviscosity水溶解度Watersolubility饱和蒸汽压Vaporpressure定义用户虚拟组分2023/2/5虚拟组分规定表格2023/2/5虚拟组分物性方法方法名称描述API-METHCOAL-LIQLKAPI-TWUAPIprocedureCorrelationsforcoal-liquidfractionsLeeKeslercorrelationsAPIprocedurewithTwucorrelationsforcriticalpropertiesASPEN(default)APIprocedurewithAspenmodifications注意: 不要将虚拟组分物性方法与流程模拟物性方法混淆，前者只是用于虚拟组分石油性质参数的计算。2023/2/5虚拟组分计算结果生成的虚拟组分在表格Components\PetroCharacterization\Results上浏览检查。2023/2/5表格AnalysisOptions\AssayProcedure2023/2/5石油性质模型基本的虚拟组分性质模型分子量MolecularWeight临界温度CriticalTemperature临界压力CriticalPressure临界体积CriticalVolume偏心因子AccentricFactor饱和蒸汽压VaporPressure液相摩尔体积LiquidMolarVolume水溶解度WaterSolubility粘度Viscosity基本的虚拟组分性质模型可以在表格Components\PetroCharacterization\PropertiesMethods\Basic上修改。2023/2/5石油性质模型(续)虚拟组分热力学性质模型理想气体热容IdealGasHeatCapacity汽化焓EnthalpyofVaporization标准生成焓StandardEnthalpyofFormation标准生成自由能StandardFreeEnergyofFormation基本的虚拟组分性质模型可以在表格Components\PetroCharacterization\PropertiesMethods\Thermodynamic上修改.2023/2/5石油性质模型(续)虚拟组分状态方程(EOS)性质模型RKSInteractionParametersBWROrientationParameterBWRCriticalTemperatureBWRCriticalVolume基本的虚拟组分性质模型可以在表格Components\PetroCharacterization\PropertiesMethods\EOS上修改.2023/2/5石油交互作用参数虚拟组分与下列常规组分的交互作用参数Kijs:H2SN2CO2COH2CH42023/2/5物性方法的修改用户可以建立自己的虚拟组分石油性质方法.各种性质的计算模型可以改变.大多数虚拟组分性质可以应用子程序.在线帮助中有每一种性质方法的简要说明2023/2/5流程模拟计算在流程模拟计算期间,不区分虚拟组分和真实组分.产品流股中的虚拟组分调和在一起，并且生成蒸馏曲线产品终馏点(即D8695%point)或者初馏点(D865%point)可以规定为单元操作的性能指标：塔内部的设计规定用于其它单元操作的外部设计规定2023/2/5检查蒸馏塔各产品之间的分离效果(重叠度)2023/2/5

PetroleumPropertiesandPropertySets

Objective:BecomefamiliarwithpetroleumpropertiesandlearntheuseofstreamanalysisAspenPlus

References:

UserGuide,Chapter32,PetroleumAssaysandPseudocomponentsPetroleumPropertiesReidvaporpressureAPIandspecificgravityWatsonUOPKfactorAnilinepointPourpointFlashpointCetanenumberCarbontohydrogenratioGrossheatingvalue2023/2/5PetroleumProperties(Continued)MeanandvolumeaverageboilingpointHydrateformationpressureandtemperatureRefractiveindexLiquidviscosityindexD86temperaturesat(0,5,10,…95%)D1160temperaturesat(0,5,10,…95%)D2887temperaturesat(0,5,10,…95%)TBPtemperaturesVacuumtemperatures2023/2/5PetroleumProperties(Continued)Properties(curves)fromAssayAnalysisPointsAniline,cloud,flash,freeze,smokeContentsAromatic,olefin,paraffin,naphthalene,mercaptanC,H,O,NImpurities:S,V,Fe,NiIndices:Antiknock,vaporknock,refractive,warm-upNumbers:MotorandresearchoctaneLuminometerViscosityGenerallyinputcurvesforassaystogeneratethesecurvesforproductstreamsisneeded.2023/2/5DistillationCurvesVolumeandweightbasisASTMD86ASTMD1160ASTMD2887(weightpercentonly)VacuumTBPAPIGravityGravityMW2023/2/5PropertySetsApropertyset(Prop-Set)isawayofaccessingacollection,orset,ofpropertiesasanobjectwithauser-givenname.Onlythenameofthepropertysetisreferencedwhenusingthepropertiesinanapplication.Usepropertysetstoreportthermodynamic,transport,andotherpropertyvalues.Currentpropertysetapplicationsinclude:Designspecifications,Fortranblocks,sensitivityStreamreportsPhysicalpropertytables(PropertyAnalysis)Trayproperties(RadFrac,PetroFrac,etc.)Heating/coolingcurves(Flash2,MHeatX,etc.)2023/2/5PropertiesincludedinProp-SetsPropertiescommonlyincludedinpropertysetsinclude:API -APIgravitySGSTD -Standardspecificgravity(60F,1atm)REIDVP -ReidvaporpressureD86T -D86temperatureMUMX -ViscosityAvailablepropertiesinclude:ThermodynamicpropertiesofcomponentsinamixturePurecomponentthermodynamicpropertiesTransportpropertiesElectrolytepropertiesPetroleum-relatedpropertiesReference:AspenPlusPhysicalPropertyDataReferenceManual,Chapter4,PropertySetshasacompletelistofpropertiesthatcanbeincludedinapropertyset.2023/2/5DefiningPropertySetsSpecificationsforapropertysetinclude:PropertynameandunitsTemperatureandpressureatwhichtocalculateIncludeorexcludewaterphasequalifier(V,L,L1,L2,T,S)2023/2/5SpecifyingPropertySetsUsethePropertiesProp-Sets

form

tospecifypropertiesinapropertyset.TheSearchbuttoncanbeusedtosearchforaproperty.Allspecifiedqualifiersapplytoeachpropertyspecified,whereapplicable.UserscandefinenewpropertiesonthePropertiesAdvancedUser-Properties

formbyprovidingaFortransubroutine.2023/2/5PredefinedPropertySetsSomesimulationTemplatescontainpredefinedpropertysets.ThefollowingtablelistspredefinedpropertysetsandthetypesofpropertiestheycontainfortheGeneralTemplate:2023/2/5PredefinedPetroleumProp-Sets

(Continued)

PredefinedProp-SetswiththePetroleumApplicationtemplate:PREDEFINEDPROPERTYSETTYPESOFPROPERTIESCUTS-EVolumetricflowrateofpetroleumcutsat100FintervalsD86-5ASTMD86temperatureat5%liquidvolumedistilled

D86-95ASTMD86temperatureat95%liquidvolumedistilledGAS-PROPSCompressibility,volumetricflowrate,heatcapacityratio

KINVISCLiquidkinematicviscosityat100Fand212F

LIGHTPetroleumcharacteristicsforlightdistillates

MIDDLEPetroleumcharacteristicsformiddledistillates

PETROVolumetricflowrate,gravity,WatsonK,distillationcurves

TBP-5Trueboilingpointtemp.at5%liquidvolumedistilled

TBP-95Trueboilingpointtemp.at95%liquidvolumedistilled2023/2/5PetroleumProp-SetsMostpetroleumpropertiesarecalculatedfrominputpropertycurves.Somepetroleumpropertiesarecalculatedfromcorrelations(FLSH-API,POUR-API)Propertiesareaccessedandusedinexactlythesamewayasotherprop-setproperties2023/2/5StreamResultsOptionsOntheSetupReportOptionsStreamsheet,use:FlowBasisandFractionBasischeck-boxestospecifyhowstreamcompositionisreportedPropertySetsbuttontospecifynamesofpropertysetscontainingadditionalpropertiestobereportedforeachstream2023/2/5Prop-setsDiscussion1.Givetworeasonsthatapropertysetisneeded.2.Howdoyoudefineapropertyset?3.Auserdefinedaprop-setforviscosityandthenranthesimulation.Afterthesimulationwascomplete,heopenedthestreamresults.Tohissurprise,hedidnotseeviscosity.Whathappened?2023/2/5

PetroFrac

Objective:IntroducethefeaturesofthePetroFracmodelanditsuseinsimulatingacrudetowerAspenPlus

References:

UnitOperationModelsReferenceManual,Chapter4,ColumnsCharacteristicsofRefiningProcessWideboilingrangefluidsLargetemperaturegradientsalongcolumnMostfluidcompositionsareunknownbuttheirdistillationanalysisisknownThreephasewithfreewaterSidestrippersandpumparoundsPetroleumspecificphysicalpropertiesHighdegreeofheatintegrationMetalandsulfurcontents2023/2/5PetroleumRefiningApplicationsPetroFracisadistillationmodelspecificallydesignedforpetroleumrefiningapplications:preflashtowercrudeunitvacuumunitvacuumlubefractionatorFCCmainfractionatordelayedcokermainfractionatorquenchtower/primaryfractionator 2023/2/5PetroFracFeaturesIntegrationoffurnace,column,sidestripperandpumparoundADA/PCSforassayinput,crudeblendandbreakdownConversionbetweendifferentASTMcurvesUserspecificationofcutsPetroleumorientedspecificationsTrayandpackingsizingandratingOtherfeaturesInitializationandconvergence2023/2/5ExampleCrudeTowerGASDECANTWATERNAPHTHAJETFUELKEROSENEDIESEL

GASOILRESIDCRUDEFEEDSTEAM2023/2/5PetroFrac-ConnectivityVaporDistillateBottomsFeedsFeedsOverflashPumparoundPumparoundStripperBottomsLiqReturnSideProductsOverheadLiquidDistillateWaterDistillateFeedHeatBottomStageorReboilerHeatDutyTopStageorCond.HeatDutyHeatorReboilerHeatDutySteamFeed2023/2/5PetroFrac-FlowsheetConnectivityAnynumberofpumparoundsandsidestrippersSteamorreboilerstrippersStripperhotliquidreturnMultiplefeedstostrippersTotalpumparoundandproductdrawoffsInterstagewaterdecantersHeatstreamsforpumparoundcoolersPseudostreams2023/2/5PetroFrac-ModelSpecificationsSetupform(required)

Numberofstages

CondenserandReboiler

Distillaterate,Bottomsrate,Condenserduty, Reboilerduty,orRefluxRatioFeed/Product(required)

Feedconvention:furnace,on-stage,above-stagePres-Profile(required)PumparoundsStrippers2023/2/5PetroFrac-PumparoundSpecificationsDrawandreturnstagelocations(required)Fortotaldrawoffs,specifyoneofthefollowing:returntemperaturetemperaturechange(negativeifcooled)duty(negativeifcooled)

Forpartialdrawoffs,specifyliquidflowrate

andoneoftheabove.2023/2/5PetroFrac-SideStripperSpecificationsStageNumberForeachstripper,thetraysarenumberedfromtoptobottomstartingwithstage1.SteamStripperSpecifyingasteam-to-productratiowilloverridethesteamflowrate.ReboilerStripperSpecifyareboilerduty.2023/2/5PetroFrac-SideStripperConventionsLiquiddrawalwaysgoestothestrippertopstage.

VaporalwaysreturnstothemaincolumnOtherSpecificationsAfractionofthestripperbottomscanbereturnedtothemaincolumnMultipledrawoffsfromdifferentstagesasfeedstothesamestripperareallowed2023/2/5PetroFrac-OtherSpecificationsSteamtoproductflowratio(mass)FeedoverflashFurnaceoutlettemperatureLiquidrunbackfromastageASTMtempsandgapsPetroleumproperties(RVP,flashpoint,pourpoint,etc…)MurphreeefficiencyMultiplepropertyoptionspecificationsFreewatercalcsinthecondenseroronalltraysBlocksPetroFracPropertiesformtospecifyinternalstagescheckedforfreewater-condenserischeckedautomaticallyTray/packing2023/2/5PetroFrac-DesignSpecificationsMeetproductpropertybyvarying:strippingsteamflowrate/reboilerdutyproductflowratepumparoundflowrateorreturntemperaturefurnacetemperatureMeetaparticularstagetemperaturebyvarying:furnaceoutlettemperaturepumparoundflowrateorreturntemperature Meetproductflowratebyvarying:furnaceoutlettemperature2023/2/5PetroFrac-DefinitionsRunbackLiquidflowratefromastagetoalowerstage,equivalenttostageliquidflowratelesssidedrawsTheRunbackformisusedtospecifytherunbackfromastage.ThemanipulatedvariableisthepumparounddutyorflowrateLiquidFlowInPetroFrac,stageliquidflowreportedinthetrayprofileisthesumofrunback,sidedraw,andpumparound.InRadFrac,stageliquidflowexcludesanysideproductdrawandpumparound.2023/2/5OutsideLoopPhysicalProperties(ai,KB,HV,HL)InsideLoopcmi=cmioutyi=KixiSxi=1.0,Syi=1.0SHiin=SHioutl,v,x,y,L=Sli,V=Svi

TInsideloopsolvedbyNewtonmethodwithorwithoutlog-legPetroFrac-ConvergenceSum-Ratesvariantoftheinside-outalgorithm2023/2/5PetroFrac-ConvergenceAlgorithm:sum-ratesvariantoftheinside-out

Initialization:designedforrefiningapplication

Toenhanceconvergence:providecolumn/strippertemperatureestimatesvaryconvergencedampingfactorstoenhancestabilitychangedesignspecifications

2023/2/5PetroFrac-Summary1. PetroFraccombinesFurnace,Column,Pumparound,andSidestripperintoonemodelwhichmakesthesimulationeasytosetupandconverge.2. Feedcharacteristicscanbeuserinputorfromtheassaylibrary.3. Multiplefeedscanbeblendedtocreateafeedmixture.4. Additionalpropertiesofaparticularproductcanbereportedbyaddingpropertysets.5. Runbackfromastageistheliquidflowrateleavingthestageandenteringthestagebelow.Runbackandliquidflowcanbedifferent.6. Mostcrudetowersdonothaveareboileratthebottom.Eitherthebottomsteamrateorthefurnacedutyisvariedtomeettheenergyrequirement(energybalance).

2023/2/5PetroFrac-Discussion1. RadFracandMultiFraccanalsobeus