UNIFAC法推算气体的溶解度

选用假想的纯液体作为气体溶质的标准态,根据气体在溶剂中溶解度的试验数据,采用了UNIFAC 法计算溶液中的活度系数,回归得到一套气体溶质-基因的相互作用参数。利用本文所给出的参数,用 UNIFAC 法推算气体在纯溶剂和混合溶剂中的溶解度,结果良好。本文将气体溶质-基团相互作用参数表示为温度的函数,推算结果有较好的温度适应性。此方法较 Sander 法的计算结果有改进,且计算简单。

Gas Solubility Calculations Using UNIFAC

Experimental data of gas solubilities with hypothetical pure liquids as thereference states of gas solutes were used for calculating activity coefficients bymeans of UNIFAC.The interaction-energy parameters between gas solutes andsolvent groups obtained by regression were expressed as functions of tempera-tures.Gas solubilities in both pure solvents and solvent mixtures,as well as innonpolar and polar nonelectrolytic solvents were calculated using these par-ameters.The calculation method is more simpler than that of Sander andbetter results are obtained.