Aquatic Ecology and Water Quality Management Group, Wageningen University, P.O. Box 47, 6700 AA Wageningen, The Netherlands; Deltares, P.O. Box 85467, 3508 AL Utrecht, The Netherlands.
Chemosphere. 2013 Nov;93(9):1742-6. doi: 10.1016/j.chemosphere.2013.05.081. Epub 2013 Jun 21.
Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. Recently Goss proposed a modified Abraham solvation equation. For various partitioning processes, the present study investigates the consequences for the fit when the Abraham solvation parameter V is left out of this modified solvation equation. For air-organic solvent partition, the Abraham solvation parameter V can be omitted from the Goss-modified Abraham solvation equation without any loss of statistical quality. For air-water partitioning, organic biphasic system partitioning, as well as water-organic solvent partitioning, omitting the V parameter from the Goss-modified Abraham solvation equation leads to only a small deterioration of statistic quality.
Abraham 溶剂化方程在环境化学和药物化学中得到了广泛的应用。最近，Goss 提出了一个改进的 Abraham 溶剂化方程。本研究针对各种分配过程，考察了在该改进的溶剂化方程中省略 Abraham 溶剂化参数 V 时对拟合的影响。对于空气-有机溶剂分配，从 Goss 改进的 Abraham 溶剂化方程中省略 Abraham 溶剂化参数 V 不会降低统计质量。对于空气-水分配、有机两相系统分配以及水-有机溶剂分配，从 Goss 改进的 Abraham 溶剂化方程中省略 V 参数仅会导致统计质量略有恶化。
