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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。
Combining the principle of corresponding states with the group contribution method, the concept of quasi-criticality is introduced and the Correspounding State with Group Contribution (CSGC) is proposed. A new vapor pressure estimation equation (CSGC-PR equation) is proposed for estimating the saturated vapor pressure in combination with the Riedel equation. The parameters of 88 kinds of groups were obtained from the experimental data of 5255 saturated vapor pressures of 350 kinds of materials, including saturated hydrocarbons, unsaturated hydrocarbons, cyclic hydrocarbons, aromatic hydrocarbons, oxygenates, sulfur compounds, nitrogenous compounds and halogenated compounds. The estimation accuracy of the new model is superior to the existing corresponding state method, which not only has good estimation accuracy for high-carbon molecules, but also extrapolates the saturated vapor pressure under high pressure for non-polar substances.