factsage实用教程检查数据库中的化合物热力学数据

Excellenthandouttrainingtemplatefactsage实用教程检查数据库中的化合物热力学数据CpTHSGetc并列出溶液体系TableofcontentscontinuedSection8Executingcalculations:TheMenuBarThermodynamicDataforCu:TabularOutputTabularoutputforFePlottedCpdataforFeSection9AddingacompounddatabasetothelistDatain2ormorecompounddatabasesSection10ViewDataofaSolutionDatabaseThesolutionphaselistwindowSection11AddingasolutiondatabasetothelistDatain2ormoresolutiondatabases.TheViewDatamodule1.2ViewDataTheViewDatamodule1°ClickonViewDatainthemainFactSagewindow.2ViewDataViewDataofaCompoundDatabaseThefollowingtwoslidesshowhowasearchforalistofcompoundsinagivensystemispreparedandexecuted.TheresultinglistofspeciesisshownandthevariousoptionsintheMenubarareindicated.Notethatthesearchcanalsobeforasinglecompoundwithagivenformula.Theappropriateentryformatsareshowninthefirstofthetwoslides.3.0ViewDataViewDataofaCompoundDatabasePressureandEnergyunitsCompoundDatabasePossibilitytoaddotherdatabasesinthedatasearch-seeslide18Clickon«OK»toscantheMainFACTpuresubstancedatabaseforallspeciesofCuandOForexample,theelementsCuandO3.1ViewDataTheMenuBarUnitsMenu:EnergyPressureSummaryMenu:AllspeciescontainingCuandOAllspeciescontainingCuAllspeciescontainingOEditMenu:FileMenu:Double-clickor«Enter»toviewthecompounddataofCuHelpisprovidedthroughaslideshowpresentation3.2ViewDataPhasesandReferencesofacompoundThefollowingtwoslidesshowthedisplaywindowwiththebasicinformationonaparticularcompound.Thesubstancenameandthemolecularweightareshown.ThePhasesTabinthedisplaywindowisrelatedtothephasesandthetemperaturerangesforwhichdataareavailable.ThesecondslideshowstheresultwhenclickingontheRefs.Tab.4.0ViewDataPhasesRetrievalofdataonCufromtheMainFACTpuresubstancesdatabase.Thereare2temperaturerangesforCu(liq)–eachhasitsownCPexpression.Cuhas3phases–S,LandG.3phasesSpeciesname,formulaweightanddensityReferences4.1ViewDataReferencesThefullnameofthedatabaseappearsintheStatusBar:[C:\FactWin\FACTDATA\FACTBASE.CDB].Bibliographicdata4.2ViewDataThebasiccompounddata:H298,S298andCpcoefficientsThefollowingslideshowsthebasicdatathatarestoredforanycompoundinadatabase.Theseare:theenthalpyofformationDH298,theentropyS298andthecoefficientsoftheCp-polynomialInmanycasesitisnecessarytousemorethanonesetofcoefficientsofCpinordertodescribetheCp-curvewithsufficientaccuracy.Furthermore,ifacompoundundergoesphasechangeswithincreaseoftemperature,eachnewphasewillhaveatleastonenewCp-polynomial.5.0ViewDataHeatcapacityexpressions–CpTNotethatthe2ndCpexpressionfortheliquidisconstantattemperaturesover900K.Theheatcapacityexpressionofsolidcopperbetween298Kand1100Kis:Cp(T)=[33.5575315-9.13164780×10-3T+212626.807T-2+6.86736674×10-6T2-2799.24538T-1](J/mol·K)5.1ViewDataThebasicdataDH298,S298andCp(T)canbeusedtoderivethetemperaturedependenceoftheenthalpy,H(T),theentropy,S(T)and,mostimportant,theGibbsenergy,G(T).CombinedintheGibbs-Helmholtzequation:Differentderivedthermodynamicfunctions:HT,STandGT6.0ViewDataEnthalpyexpressions–HTH(T)=[7002.148876+33.55753148T-4.565823899×10-3T2-212626.8066T-1+2.289122247×10-6T3-2799.245381lnT](J/mol)6.1ViewDataEntropyexpressions–STS(T)=[-163.8086625+33.55753148lnT-9.131647798×10-3T-106313.4033T-2+3.433683370×10-6T2+2799.245381T-1](J/mol·K)at1bar6.2ViewDataGibbsEnergyexpressions–GTG(T)=[4202.903495+197.3661939T-4.565823899×10-3T2-106313.4033T-1+1.144561123×10-6T3-2799.245381lnT-33.55753148TlnT](J/mol)at1bar6.3ViewData7.0AdditionalbasicdataofacompoundThecompounddatabaseformatpermitsnotonlythestorageofthestandarddatashowninthepreviousslides.ItisalsopossibletoenterdataforthemagneticGibbsenergyofasolidcompound,basicdatathepermitthecalculationofvirialcoefficientsofgaseouscompounds,anddatatotreatthepressuredependenceoftheGibbsenergyofcondensedcompoundsaccordingtotheBirch-Murnaghanapproach.ViewDataMagneticdataandCpexpressionsforFeandpisthePFactorandbistheStructureFactorFe7.1ViewDataRealgascoefficientsforcarbondioxideCO2Bisestimated(forpuregasesandmixtures)bytheTsonopoulosmethod*fromPc,Tcandomega(theacentricfactor)forthepuregases.Gasesaretreatedasnon-polar.Foridealgases,thevalueofBiszero.*«AnEmpiricalCorrelationofSecondVirialCoefficients»byC.Tsonopoulos,AIChEJournal,vol.20,No2,pp.263-271,1974.Thetruncatedvirialequationofstateisemployedtotreatrealgases:Forexample,CO27.2ViewDataDataforSiO2Forexample,SiO27.3ViewDataVolumedata-expansivities,compressivitiesandderivativeofbulkmodulusThermalexpansionexpressionexpansivities:Compressibilityexpression(compressibilities):Derivativeofthebulkmodulusexpression:7.4ViewData8.0UsingtheMenubartogeneratethermodynamicpropertyvaluesThefollowingslidesshowhowtheViewDatamodulecanalsobeusedtocalculatethethermodynamicpropertiesofacompound.Thepropertiesvaluescanbedisplayedintablesandalsoingraphs.TheMenubarcontainstheappropriateoptionbuttons.ViewDataTheMenuBarTableMenu:DatabasesMenu:Selectionofthephase(s).Selectionofthetemperaturerangeandstep.GraphMenu:*Selectionofthermodynamicdata:Cp,H,GorS…vsT*8.1ViewDataThermodynamicDataforCu:TabularOutputClosePrintSaveOutputMenu:+thermodynamicdataatT=298.15KstandardstateFrom500Kto2500Kinstepsof500Kallphases(S,L,G)8.2ViewDataTabularoutputforFeTheallotropictransformationS1®S2(alpha®gamma)at1184.81KAtthistemperatureG(S1)=G(S2)(twophasesinequilibrium).Theenthalpyoffusionis13806.9Jat1810.95K.Theallotropictransitionreversesat1667.47KwhereS2®S1(gamma®delta).PhasetransitionsS1®S2®S1®L®GasTincreases.TheenthalpyofvaporizationtoformmonatomicFe(g)at1atmis(482861.0-133229.8)=349631.2Jat3131.93K.…withanassociatedenthalpyoftransformationof(34587.3-33574.4)=1012.9J8.3ViewDataPlottedCpdataforFeCurietemperature=1043K8.4ViewDataTheViewDatamodulelinksDatabaseswiththeFactSageprogram,IThefollowingslidesshowhowtheViewDatamoduleisusedinordertolinkadditionalCompounddatabaseswiththeFactSageprogram.OnceseveraldatabasesarelinkedwithFactSageitispossibletousethemincombinedsearchesforcompounds.Theresultofsuchacombinedsearchisshown.NOTE:Theadditionallylinkeddatabasesarealsoavailableforuseinothermodules.ThusViewDatacanbeconsideredageneralentrypointfordatabases.9.0ViewDataAddingacompounddatabasetothelist1.Pressthe«Add…»buttonintheCompoundDatabases(1)frame.3.Thisopensthedialogbox“Compound-listofdatabases”.Typeinthefullnameorbrowsetolocate.2.Select«compound»9.1ViewDataAddingacompounddatabasetothelistcontinued4.Enteranickname(4characters).Enteradescription(oneline).Clickon«OK».5.TheSGTEdatabaseisnowincludedinthelistofcompounddatabases.9.2ViewDataDatain2ormorecompounddatabases«AllDatabases»15compoundsfromtheFACTBASEdatabaseand2fromtheSGTEBASEdatabaseforatotalof17compounds.9.3ViewData10.0UsingViewDatawithSolutiondatabasesInadditiontotheuseofViewDatafortheinspectionofCompounddatabasesitisalsopossibletoapplythismoduleforthesearchinSolutiondatabases.Thefollowingslideswillgiveanoverviewofthisapplication.ViewDataViewDataofaSolutionDatabasePressureandEnergyunitsSolutionDatabasePossibilitytoaddotherdatabasesinthedatasearch–seeslide23.Clickon«OK»toscantheMainFACTrealsolutionsdatabaseforallsolutionscontainingCu,FeandS.Forexample,theelementsCu,FeandS10.1ViewDataThesolutiondatasetswindowHelpisprovidedthroughaslideshowpresentationSummaryMenu:AllsolutionscontainingCu,FeorOAllsolutionscontainingCuAllsolutionscontainingFeAllsolutionscontainingOUnitsMenu:EnergyPressureEditMenu:FileMenu:ThefullnameoftheMainFACTrealsolutionsdatabaseappearsintheStatusBar:[C:\FactWin\FACTDATA\FACTSOLN.SDB].10.2ViewData11.0TheViewDatamodulelinksDatabaseswiththeFactSageprogram,IIThefollowingslidesshowhowtheViewDatamoduleisusedinordertolinkadditionalSolutiondatabaseswiththeFactSageprogram.OnceseveraldatabasesarelinkedwithFactSageitispossibletousethemincombinedsearchesforcompounds.Theresultofsuchacombinedsearchisshown.NOTE:Theadditionallylinkeddatabasesarealsoavailableforuseinothermodules.ThusViewDatacanbeconsideredageneralentrypointfordatabases.ViewDataAddingasolutiondatabasetothelist1.Press«Add…»buttonintheSolutionDatabases(1)frame.3.Thisopensthedialogbox“Solution-listofdatabases”.Typeinthefullnameorbrowsetolocate.2.Select«solution»11.1ViewDataAddingasolutiondatabasetothelistcontinued4.Enteranickname(4characters).Enteradescription(oneline).Clickon«OK».5.TheSGTEdatabaseisnowincludedinthedatabaselist.11.2ViewData演讲结速,谢谢观赏Thankyou.常用编辑图使用方法1.取消组合2.填充颜色3.调整大小选择您要用到的图标单击右键选择“取消组合”右键单击您要使用的图标选择“填充”,选择任意颜色拖动控制框调整大小商务图标元素商务图标元素商务图标元素商务图标元素