基团对应状态法(CSGC)用于纯物质饱和蒸气压的估算  

ESTIMATION OF VAPOR PRESSURES FOR PURE SUBSTANCES WITH CORRESPONDING - STATES GROUP - CONTRIBUTION METHOD (CSGC)

作　　者：李平[1] 马沛生[1] 衣守志 赵志刚 丛霖滋 

机构地区：[1]天津大学化学工程系,天津300072

出　　处：《化工学报》1995年第3期332-337,共6页CIESC Journal

基　　金：国家自然科学基金资助项目

摘　　要：将对应态原理与基团贡献法相结合,引入拟临界性质的概念,提出基团对应状态法(Correspounding State with Group Contribution,简称CSGC)。并将其与Riedel方程相结合用于饱和蒸气压的估算,提出新的蒸气压估算方程(CSGC-PR方程)。88种基团的参数由包括饱和烃、不饱和烃、环烃、芳烃、含氧化合物、含硫化合物、含氮化合物、含卤化合物等350种物质5255个饱和蒸气压实验数据关联获得。新模型的估算精度优于现有的对应状态法,不仅对于高碳数分子有良好的估算精度,并对非极性物质能较好地外推高压下的饱和蒸气压。A new estimation method (CSGC) was proposed by combining corresponding state principle with group contribution method and a new vapor pressure equation (CSGC - PR) was developed with this method. Contribution values of 88 groups were obtained by correlating 5255 vapor pressure experimental data of 350 substances including saturated hydrocarbons, unsaturated hydrocarbons, cyclohydrocarbons, aromatics, oxygen compounds, sulfurcompounds, nitrogen compounds, halohydrocarbons, etc. The new model is suitable to a wide variety of hydrocarbons and has good accuracy. Predicted results for vapor pressures of 28 substances (on database) show that the CSGC -PR equation is superior to the corresponding state equations. Satisfactory results were also obtained in predicting vapor pressures of nonpolar substances under a high pressure.

关 键 词：蒸气压 流体物性估算 临界性质 基团贡献 

分 类 号：O552.6[理学—热学与物质分子运动论] O647.1[理学—物理]