摘要
对局部组成混合规则提出了一种新的简化处理方法，用ＵＮＩＦＡＣ基团交互作用参数计算局部组成公式中的能量参数λｊｉ，并将局部摩尔分率ｘｊｉ直接引入Ｐｅｎｇ－Ｒｏｂｉｎｓｏｎ方程参数ａｍ和ｂｍ之中。用新模型关联计算了８个含烃、醇、水、丙酮的高度非理想体系的高压汽液平衡。
In this work,a simplified UNIFAC-based local compositi on mixing rule containing one or two adjustable parameters was proposed for the PRSV equation of state. The energy parameters A# in the local composition expression were estimated by UNIFAC group contribution method and the local mole fraction was directly introduced into the EOS parameters am and bm of mixture. High pressure vapor-liquid equilibria for 8 strongly non-ideal systems including polar-polar and nonpolar-polar binary systems were arbitrarily selected for testing calculations. The results calculated by the proposed mixing rule are much better than those obtained by the conventional and HV mixing rules.
出处
《石油化工》
CAS
CSCD
北大核心
1996年第2期95-98,115,共5页
Petrochemical Technology
基金
国家自然科学基金
关键词
混合规则
石油化工
高压
汽液平衡
UNIFAC方程
UNIFAC,mixing rule,equation of state,high pressure phase equilibrium,correlation
