摘要
本文根据Bagley的溶解度参数定义,由修正的Van der Waals模型建立了一个能计算各种温度下液体溶解度参数的公式δ=(RTρm/1-Aρm+Bρm^2)^(1/2)式中ρm是液体的摩尔密度.A和B是两个相关的特性常数,对于一般小分子液体B=0.2610A^2它们都仅与分子的大小有关.本文发展了一种能从分子的结构式准确获得各种液体的特性常数A的基团贡献法,对60种液体的溶解度参数预测结果表明,计算值与实验值的平均相对误差为±0.8%.
According to Bagley's definition of solubility parameter, an expression is established which could be used to calculate solubility parameter of liquids at various temperature
where ρm is molar density of liquid. A and B are two correlative characteristic constants. For the general small molecule liquids
both A and B are functions of molecular size only.
A method of group contributions is developed to determine accurately characteristic constant A of various liquids from their structural formulae. The predicted solubility parameters showed an average relative deviation from the experimental values of about ±0.8% tor sixty liquids.
出处
《化工学报》
EI
CAS
CSCD
北大核心
1990年第3期257-264,共8页
CIESC Journal
