UNIFAC-SRK模型应用范围的进一步拓展  

Extension application rang of UNIFAC-SRK group contribution equation of state

作　　者：傅杨武[1] 傅川 薛荣书[2] 陈明君[1] 

机构地区：[1]重庆三峡学院化学与环境工程系,重庆404000 [2]重庆大学化学化工学院,重庆400044

出　　处：《计算机与应用化学》2005年第11期1041-1043,共3页Computers and Applied Chemistry

摘　　要：根据HV混合规则,利用UNIFAC模型、SRK状态方程及相关热力学函数,推导出UNIFAC-SRK模型的逸度系数方程。根据Nelder-Meand法,采用FORTRAN编程,估算出了18对新的基团交互作用参数,扩大了该模型的应用范围。根据估算出的基团参数对35个二元汽液平衡体系的泡点压力和汽相组成进行了预测,预测值和实验值吻合良好。Using Huron-Vidal mixing rules in conjunction with UNIFAC Model, SRK equation of state and thermodynamics functions, the coefficient equation of UNIFAC-SRK Model was derived. Eighteen new pares of group interaction parameters were estimated with Nelder-Mead method. As a result, the application range of the predictive UNIFAC-SRK model for the prediction of vapor-liquid equilibrium was extended. Predictions for the bubble-pressure and vapor composition of vapor-liquid phase equilibrium are performed by means of UNIFAC-SRK model. This calculation includes 35 binary systems, and satisfactory accuracy was obtained.

关 键 词：逸度系数方程 基团交互作用参数 汽液平衡 估算 

分 类 号：TQ013.1[化学工程]