一种用EXCEL进行冶金热力学平衡计算的新方法

EXCEL,,(,410083):EXCEL,,,EXCEL,:;;EXCEL:TP391113:A:1004-0536(2005)01-0048-04ANewMethodforMetallurgicalThermodynamicEquilibriumCalculationbyEXCELZHAOZhong-wei,HUYu-jie,LIHong-gui(CollegeofMetallurgicalScience&Engineering,CentralSouthUniversity,Changsha410083,China)Abstract:AnewmethodformetallurgicalthermodynamicequilibriumcalculationinwhichthefunctionofmathematicalcalculationofEXCELisused,isprovidedinthispaper.Thismethodcharacterizedbyswift,accurateandsimpleopera2tion,avoidstheinconvenientprocessofsolvingmultiplyequitationwithroutinemethodsandcandirectlydrawthethermo2dynamicequilibriumdiagraminthecurrentEXCELworksheet.Sothismethodispracticalforthermodynamicequilibriumcalculationandthedrawingofequilibriumdiagramofmetallurgicalprocess.Keywords:metallurgy,thermodynamicequilibriumcalculation;EXCEL[1],,,,,,,,,,,,,,,,,EXCEL,,:2004-09-11;:2004-11-10:(1966-),,,33120053RareMetalsandCementedCarbidesVol.33.1Mar.2005©1994-2007ChinaAcademicJournalElectronicPublishingHouse.Allrightsreserved.[2]EXCEL,EXCEL,EXCEL,,,,EXCE16384,,256,16384256,,EXCEL2,,,,,,:,,,,;,,EXCEL,n,x1x2x3xn,,(x1),x1x2,x1x2,x1()x2x3,,x1x2x3xn-1xn,x1,(x1),EXCEL,x1x2x3xn,x2x3xnEXCELEXCEL,x1,,x1,,,,,,EXCEL,3(Mo-S-H2O)[3],EXCEL3.1[3]Mo-S-H2O,Mo-S-H2O(25)lgKMoO2-4+H2SWMoO3S2-+H2O5.19MoO3S2-+H2SWMoO2S2-2+H2O4180MoO2S2-2+H2SWMoOS2-3+H2O5.00MoOS2-3+H2SWMoS2-4+H2O4.88H2SWH++HS--7.00HS-WH++S2--17.00:K,pH,:[MoO3S2-][MoO2-4][H2S]=105.19(1)941,:EXCEL©1994-2007ChinaAcademicJournalElectronicPublishingHouse.Allrightsreserved.[MoO2S2-2][MoO3S2-][H2S]=104.80(2)[MoS2-3][MoO2S2-2][H2S]=105.00(3)[MoS2-4][MoOS2-3][H2S]=104.88(4)[HS-][H+][H2S]=10-7.00(5)[S2-][H+][HS-]=10-17.00(6),:[MoO2-4]+[MoO3S2-]+[MoO2S2-2]+[MoOS2-3]+[MoS2-4]=[Mo](7)[H2S]+[HS-]+[S2-]+[MoO3S2-]+2[MoO2S2-2]+3[MoOS2-3]+4[MoS2-4]=[S](8),:[Mo]=0.003mol/L,[S]=0.15mol/L[H2S],(1)(8),:[MoO2-4]=0.003/(1+105.19[H2S]+109.99[H2S]2+1014.99[H2S]3+1019.87[H2S]4)(9)[MoO3S2-]=105.19[H2S][MoO2-4](10)[MoO2S2-2]=104.8[H2S][MoO3S2-](11)[MoOS2-3]=105[H2S][MoO2S2-2](12)[MoS2-4]=104188[H2S][MoOS2-3](13)[HS-]=10(pH-7)[H2S](14)[S2-]=10(pH-7)[HS-](15)[S]=[H2S]+[HS-]+[S2-]+[Mo3S2-]+2[MoO2S2-2]+3[MoOS2-3]+4[MoS2-4](16)312EXCELpH(pH),EXCEL:EXCEL,1,A1P1:pH710810910101010.5111011.51210,A2A9[Mo]=0.003mol/L,B2B90.003,1,pH=71EXCEL2E20533©1994-2007ChinaAcademicJournalElectronicPublishingHouse.Allrightsreserved.(9)(15),E2P2EXCEL,,23E2F2(16),C2,4,[S]=0.15mol/L,0.153F24C2:D2(),C2,0.15,D2,C20.15,,pH=7,3.3EXCEL,pH810910101010.5111011.51210,,5ALMNOP,EXCEL,pH,54EXCEL,EXECL,,,,,5EXCELpH(54)151,:EXCEL©1994-2007ChinaAcademicJournalElectronicPublishingHouse.Allrightsreserved.(1),,,BeO(2)BeO,,,,,BeO80%(3)BeO,,,:[1]1[M]1:,19861[2]1()[M]1:,19921[3],PA1[M]1:,19851(51),EXCEL,,,,,EXCEL,EXCEL,,,:[1],.[M].:,19931[2]DodgeM,1EXCEL5[M]1,1:,19941[3],.[J].,2001,32(3):25914533©1994-2007ChinaAcademicJournalElectronicPublishingHouse.Allrightsreserved.