CSGC方程估算污水处理中高沸点有机物蒸气压

Estimation of Vapor Pressure for High Boiling Organic Compounds in Wastewater Treatment with Corresponding States Group Contribution

将Riedel方程和基团贡献法结合,提出一种新的估算方法对应态基团贡献法(CS— GC),借助这种方法,提出一个新的蒸汽压估算方程。通过采用包括烷烃、烯烃、环烃、芳香族、卤代烃、含氧物质、含硫物质、含氮物质等462种物质6 540个数据点的回归计算得到117 种基团的贡献参数值。通过对10种高沸点有机物的蒸气压估算后得到的结果显示,新的蒸汽压估算方程虽然仅仅用到了正常沸点这一个参数,但得到总平均误差仅为1．17％。

A new estimation method was proposed by combing corresponding state principle with group contribution method through introducing the concept of assumed-critical properties. Group-contribution parameters of 117 functional groups were obtained by correlating 6 540 datum points of experimental vapor pressures for 462 compounds, including alkenes, cyclohydrocarbons, aromatics, halogenated hydrocarbons and compounds containing oxygen, sulfur and nitrogen etc. The estimating result of ten high boiling organic compounds show that although the method just use the normal boiling point Tb, the total error is 1.17%.