Abstract Fugacity coefficients of dilute aqueous solutions of six species belonging to normal fluids (CO2, C2H4, C2H6, C3H8, n-C4H10, i-C4H10) as well as functional groups CH3 and CH2 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 basis of the approach is a correlation developed for the function, A 12 ∞ = V 2 ∞ / κ T R T , that 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. For aqueous CO2, the agreement with literature data is generally satisfactory. It is shown that for other solutes existing disagreements can be traced mostly to the values of the second cross virial coefficients employed in the literature models, suggesting the room for improvement of existing recommendations.

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。 II. 普通流体 CO2、C2H4、C2H6、C3H8、n-C4H10、i-C4H10、CH3 和 CH2 官能团

摘要 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）。该方法的基础是为函数 A 12 ∞ = V 2 ∞ / κ TRT 开发的相关性，其中包括已知约束：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。对于 CO2 水溶液，与文献数据的一致性通常是令人满意的。