METHOD FOR ESTIMATING BOTH SOLUBILITY PARAMETERS AND MOLAR VOLUMES OF LIQUIDS
METHOD FOR ESTIMATING BOTH SOLUBILITY PARAMETERS AND MOLAR VOLUMES OF LIQUIDS
复制标题
DOI：
10.1002/pen.760140211
复制
发表时间：
1974-01-01
影响因子：
3.2
通讯作者：
FEDORS, RF
中科院分区：
文献类型：
--
作者：
FEDORS, RF
物质的溶解度参数和摩尔体积可以与适当的理论结合使用，以提供溶液的热力学性质的估计;聚合物-溶剂系统的溶解度特性和聚合物对液体的平衡吸收的估计是适合于处理的实际问题类型的例子，对于低分子量液体，溶解度参数δ，使用表达式δ =（ΔEv/V）1/2方便地计算，其中Δ Ev是在给定温度下的蒸发能，V是从分子量和密度的已知值计算的相应摩尔体积。对于高分子量聚合物，挥发性太低，不能直接获得Δ Ev，因此必须采用间接方法估算这些材料的δ。其中一种广泛使用的方法是基于Small的加性基团“摩尔吸引常数”，当相加时，可以根据材料结构式的知识估计δ;然而，密度仍然必须通过实验确定。基于基团加性常数估计δ的方法被认为比Small的方法优越上级，原因有二：（1）已经评估了大量官能团的贡献，以及（2）该方法仅需要知道化合物的结构式。
The solubility parameters and molar volumes of substances can be used, in conjunction with suitable theory, to provide estimates of the thermodynamic properties of solutions; the solubility characteristics of polymer‐solvent systems and the estimation of the equilibrium uptake of liquids by polymers are examples of the type of practical problems that are amenable to treatment.For low molecular weight liquids, the solubility parameter, δ, is conveniently calculated using the expression δ = (ΔEv/V)½, where ΔEvis the energy of vaporization at a given temperature andVis the corresponding molar volume which is calculated from the known values of molecular weight and density.For high molecular weight polymers, the volatility is much too low for ΔEvto be obtained directly and hence recourse must be made to indirect methods for estimating δ for these materials. One such widely used method is based on Small's additive group “molar‐attraction constants” which when summed allow the estimation of δ from a knowledge of the structural formula of the material; however, the density must still be determined experimentally.The proposed method of estimating δ, also based on group additive constants is believed to be superior to Small's method for two reasons: (1) the contribution of a much larger number of functional groups have been evaluated, and (2) the method requires only a knowledge of the structural formula of the compound.