摘要
实际链状流体混合物的亥氏函数表示为参考流体（硬球链流体混合物）的贡献和由于链节间的方阱位能相互作用的贡献之和．前者直接用作者先前建立的硬球链流体混合物的分子热力学模型计算，不含混合规则；后者采用Alder等人的结果，用vanderWaals单流体理论计算混合物的能量参数.对于不含氢键作用的二元混合物，有一可调相互作用参数，需由实验数据拟合得到．本模型可以满意地关联小分子混合物和高分子溶液的汽液平衡。
The molecular thermodynamic model for chain-like molecule fluids established by adopting the molecular thermodynamic model for hard-sphere-chain fluids as a reference and a perturbation term contributed by the square--well potential in the previous work have been extended to mixtures.The conformal solution theory,i.e.,the van der Waals one-fluid theory with a temperature independent adjustable binary ineteraction parameter is used to calculate the interaction energy ε/κ between segments of mixtures.Good agreements with experimental data have been obtained for the calculated vapor-liquid equilibria for mixtures of normal fluids with no association.The model can also be used to calculate the binary vapor-liquid equilibria of polymer solutions.
出处
《化工学报》
EI
CAS
CSCD
北大核心
1996年第6期674-682,共9页
CIESC Journal
基金
国家自然科学基金
关键词
分子热力学模型
状态方程
汽液平衡
高分子溶液
molecular thermodynamic model,equation of state,polymer solution,vapor-liquid equilibrium
