第36卷第5期中南大学学报(自然科学版)Vol.36No152005年10月J.CENT.SOUTHUNIV.(SCIENCEANDTECHNOLOGY)Oct.2005用MATLAB编程求解Zn(Ⅱ)2NH4Cl2NH32H2O体系热力学模型巨少华,唐谟堂,杨声海(中南大学冶金科学与工程学院,湖南长沙,410083)摘要:应用MATALAB语言编写程序建立Zn(Ⅱ)2NH4Cl2NH32H2O体系的多元非线性热力学模型并求解其热力学关系。模型中共有pH值、游离氨浓度、总氨浓度、溶液中总锌浓度、总氯浓度和游离氯离子浓度6个变量,共有锌量、氨量、氯量和电荷平衡4个方程。根据电算指数法,模型中各离子浓度之间服从对数和指数关系。输入需求解的方程及其边界条件,求出总氨浓度和总氯浓度分别在0～10mol/L范围内变化时,其他未知数随之变化的关系,并绘制各种重要的热力学关系图,包括各种立体图和二维图。对用MATLAB求解模型和用BASIC求解模型的所得结果以及与氧化锌溶解度实验所得结果之间的差异进行分析。结果表明,用MATLAB编程求解冶金多元非线性热力学模型,过程简单,所得结果精确可靠,根据计算所得数值可方便地绘制成各种图形,便于进行冶金分析。关键词:MATLAB语言;编程;热力学模型;配位化学;湿法冶金热力学;锌氨配合物中图分类号:TF111.3文献标识码:A文章编号:167227207(2005)0520821207ThermodynamicmodelofZn(Ⅱ)2NH4Cl2NH32H2OsystemusingMATLABprogrammingJUShao2hua,TANGMo2tang,YANGSheng2hai(SchoolofMetallurgicalScienceandEngineering,CentralSouthUniversity,Changsha410083,China)Abstract:UsingMATLABprogramming,anonlinearmathematicalthermodynamicsmodelofZn(Ⅱ)2NH4Cl2NH32H2Osystemwassetup.Inthismodel,therearealtogether6variables:pH-2+value,concentrationofCl,concentrationofNH3,totalconcentrationofZn,totalconcentra2-tionofCl,andtotalconcentrationofNH3;and4equilibriumequations:thequantumequilibri22+-umoftotalconcentrationofZn,totalconcentrationofCl,totalconcentrationofNH3andelectricchargeequilibrium.Accordingtotheexponentialcomputationmethod,theanalyticalex2pressionbetweentheconcentrationofcomplexspeciesandthoseofthecoordinatedcompoundsis-intheformofexponentandlogarithm.WiththeconcentrateoftotalNH3andtotalCl,respec2tivelyinrangeof010mol/L,inputtingtheequationsandboundaryconditionsintheprograms,thevaluesofotherfourunknownsareobtained,accordingtowhichvariousvaluablefiguresofthermodynamicrelationareprotractedalsousingMATLAB,includingtwoandthreedimensionsfigures,whichshowtheintuitionisticthermodynamiccharacteristicsofthesystem.Thesefiguressupplythetheoreticconferenceforoptimizingtheratioofleachingreagentsandeventhepurifica2tionoftheleachingsolutionduringtheammonialeachingprocess.Finally,therelativeerrorsof收稿日期: