基团对应状态法（CSGC）用于估算不同温度下纯物质的蒸发焓

A new method for estimating enthalpy of vaporization of pure substances at different temperatures by CSGC

用基团对应状态法（ＣＳＧＣ）提出新的蒸发焓估算方程（ＣＳＧＣ－ＨＷ），对７５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４０８种物质１３７９个不同温度下蒸发焓实验数据进行关联获得满意结果。新模型具有形式简单、所需的纯物质信息少、估算精度高等优点。

new estimation equation of enthalpy of vaporization, CSGC-HW, was developed with CSGC method. Contribution values of 75 groups were obtained by correlating 1379 experimeatal data of vaporization enthalpy at different temperatures for 408 substances including saturated and unsaturated hydrocarbons,cyclohydrocarbons, aromatics, oxygen com pounds, sulfocompounds, nitrogen compounds,halohydrocarbons,etc. The correlation results show that CSGC-HW equation is possessed of good adaptability and accuracy.