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首页> 外文期刊>Biophysical Chemistry: An International Journal Devoted to the Physical Chemistry of Biological Phenomena >Temperature dependence of the solubility of non-polar gases in water
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Temperature dependence of the solubility of non-polar gases in water

机译：非极性气体在水中溶解度的温度依赖性

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摘要

An explanation is provided for the experimentally observed temperature dependence of the solubility and the solubility minimum of non-polar gases in water. The influence of solute size and solute-water attractive interactions on the solubility minimum temperature is investigated. The transfer of a non-polar solute from the ideal gas into water is divided into two steps: formation of a cavity in water with the size and shape of the solute and insertion of the solute in this cavity which is equivalent to `turning on' solute-water attractive interactions. This two step process divides the excess chemical potential of the non-polar solute in water into repulsive and attractive contributions, respectively. The reversible work for cavity formation is modeled using an information theory model of hydrophobic hydration. Attractive contributions are calculated by modeling the water structure in the vicinity of non-polar solutes. These models make a direct connection between microscopic quantities and macroscopic observables. Moreover, they provide an understanding of the peculiar temperature dependences of the hydration thermodynamics from properties of pure water; specifically, bulk water density and the water oxygen-oxygen radial distribution function.
机译：提供了实验观察到的温度依赖性非极性气体在水中的溶解度和最小溶解度的解释。研究了溶质尺寸和溶质与水之间的吸引力相互作用对最低溶解度的影响。非极性溶质从理想气体到水中的转移分为两个步骤：在水中形成具有溶质大小和形状的空腔，并将溶质插入该空腔中，相当于“打开”溶质与水的吸引力相互作用。这两个步骤将水中非极性溶质的过量化学势分别分为排斥和吸引作用。使用疏水性水合作用的信息理论模型对空腔形成的可逆功进行建模。通过对非极性溶质附近的水结构进行建模，可以计算出有吸引力的贡献。这些模型在微观数量和宏观可观测物之间建立了直接联系。此外，他们从纯净水的性质了解水合热力学的特殊温度依赖性。具体而言，容积水密度和水的氧-氧径向分布函数。

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