Experimental standard partial molal volumes, heat capacities, and entropies as well as apparent standard partial molal enthalpies and Gibbs free energies of mono- and dicarboxylic acids and their anions at low temperatures and pressures are used to generate correlations for predicting the same properties at high temperatures and pressures for 59 carboxylic and 18 hydroxyacid species with the revised Helgeson-Kirkham-Flowers (HKF) equation of state. Predicted equilibrium dissociation constants are compared with experimental values from the literature and tabulated as functions of pressure and temperature for 25 carboxylic acids and nine hydroxyacids. Close agreement between independent predictions and experimental data supports the generality of the computational techniques and the accuracy of predicted data. These results allow incorporation of a wide variety of organic acids into quantitative interpretations of geochemical processes.

中文翻译：

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水热溶液中的有机酸；羧酸的标准摩尔热力学性质和高温高压下解离常数的估计

实验标准偏摩尔体积、热容和熵以及表观标准偏摩尔焓和一元和二元羧酸及其阴离子在低温和低压下的吉布斯自由能用于生成相关性以预测高温下的相同性质59 种羧酸和 18 种羟基酸物质的压力和压力以及修正后的 Helgeson-Kirkham-Flowers (HKF) 状态方程。预测的平衡解离常数与文献中的实验值进行比较，并作为 25 种羧酸和 9 种羟基酸的压力和温度的函数制成表格。独立预测和实验数据之间的密切一致性支持了计算技术的普遍性和预测数据的准确性。