Abstract Fugacity coefficients of twelve polar or aromatic species at infinite dilution in water (H2S, benzene C6H6, toluene C7H8, methanethiol CH3SH, SO2, HCN, acetone (CH3)2CO, NH3, methylamine CH3NH2, methanol CH3OH, ethanol C2H5OH and phenol C6H5OH) have been evaluated from ambient conditions (298 K, 0.1 MPa) to high temperatures (up to 2000 K) and water densities (up to 1500 kg m–3). The approach is based on a correlation developed for the function, A 12 ∞ = V 2 ∞ / κ T R T , and includes known constraints: second virial coefficients at low water densities, hard sphere behavior at high water densities, near–critical principles, and corresponding–states relations. A comparison with literature data at subcritical (Henry's and vapor–liquid distribution constants) and supercritical temperatures (fugacity coefficients) is made.

中文翻译：

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水中稀释溶质热力学性质的相关性和预测高达高 T 和 P。 III。极性和芳香族溶质 H2S、C6H6、C7H8、CH3SH、SO2、HCN、丙酮、NH3、CH3NH2、CH3OH、C2H5OH、苯酚

摘要 十二种极性或芳香族物质在水中无限稀释时的逸度系数（H2S、苯 C6H6、甲苯 C7H8、甲硫醇 CH3SH、SO2、HCN、丙酮 (CH3)2CO、NH3、甲胺 CH3NH2、甲醇 CH3OH、乙醇 C2H5OH 和苯酚 C6H5OH）已经从环境条件（298 K，0.1 MPa）到高温（高达 2000 K）和水密度（高达 1500 kg m-3）进行了评估。该方法基于为函数 A 12 ∞ = V 2 ∞ / κ TRT 开发的相关性，并包括已知约束：低水密度下的第二维里系数、高水密度下的硬球行为、近临界原则和对应状态关系。与亚临界（亨利和汽液分布常数）和超临界温度（逸度系数）的文献数据进行了比较。