由无限稀释活度系数预测汽液平衡数据的探讨

用内聚能密度法,通过一个无限稀释活度系数和纯物质的性质,预测了包括非极性、弱极性和极性的28个二元体系汽液平衡数据,并与文献值作了比较。为了评价内聚能密度法的适应性,也用单参数 Wilson 方程法对相同体系的数据作了预测。结果表明:用内聚能密度法预删汽液平衡除含氢键的体系外,大部分体系汽相组成的绝对平均偏差均小于0.02。

STUDY ON PREDICTION OF VLE DATA WITH INFINITEDILUTION ACTIVITY COEFFICIENT

28 binary VLE systems containing non-polar,semipolar,and polar compounds were pre- dicted by the extended Cohesive Energy Density method with infinite dilution activity coefficients.In order to evaluate the suitability of this method for predictions,these VLE systems were predicted by One-parameter Wilson equation,too.The results indicate that the Cohesive Energy Density method is suitable for almost all of the VLE systems except the hydrogen-bonded system.The absolute average deviations of vapor mole fraction between the predicted and experimental data are less than 2%.