基于无限稀释活度系数模型的状态方程

EQUATION OF STATE BASED ON MODEL OF INFINITE DILUTION ACTIVITY COEFFICIENTS

发展了一种从纯物质的性质参数预测混合物汽液平衡的方法,它是以立方状态方程的过量吉布斯自由能 g^E结合型混合规则和无限稀释活度系数 MOSCED模型为基础,由MOSCED模型预测得到活度系数方程的相互作用参数,从而得到混合规则中的g^E,使得状态方程能在较大温度和压力范围内预测汽液平衡.用此法预测了含极性组分体系常压到较高压力的汽液平衡,结果良好,与UNIFAC基团贡献状态方程的结果相当.

This paper develops an equation of state method to predict vapor-liquid equilibria (VLE)of mixtures using only pure component parameters. Based on the mixing rule combined with excess Gibbs free energy gE, a model of infinite dilution activity coefficients MOSCED is used to predict the interaction parameters of the activity coefficients equation which calculates the gE. This makes the cubic equation of state into a predictive one for the VLE calculations over a wide temperature and pressure range. Like the UNIFAC group-contribution equation of state, it performs satisfactorily in the VLE prediction of systems containing polar components , including VLE under high pressures.