The proposed model of intermolecular interactions contains three independent groups of quantities describing non-polar forces, polar forces, and hydrogen bonds. The contribution of hydrogen bonding to the total energy of intermolecular interaction is represented as a product of some quantum-mechanical threshold value and the probability of molecular arrangement that makes this bonding possible. Two characteristics, “polarity” and “hydrophilicity”, distinguishing polar and non-polar species, are introduced. Along with the generalized charge, these characteristics are independent arguments of the three-parameter model for liquid phases used in chromatography. The model is applied to describe the interaction of polar molecules in the gas phase with liquid polyethylenee glycol (PEG). Theoretical dependences of PEG polarity and hydrophilicity on the polymer′s molecular mass are derived. The graph of these dependences plotted in “polarity–hydrophilicity” coordinates agrees well chromatography data for characteristics of PEGs used as stationary phases.

中文翻译：

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与氢键形成相关的分子间相互作用模型及其在聚乙二醇实例中色谱相选择性表征中的应用

所提出的分子间相互作用模型包含三个独立的数量组，用于描述非极性力、极性力和氢键。氢键对分子间相互作用总能量的贡献表示为某些量子力学阈值和使这种键合成为可能的分子排列概率的乘积。介绍了区分极性和非极性物种的两个特性，“极性”和“亲水性”。连同广义电荷，这些特征是色谱中使用的液相三参数模型的独立参数。该模型用于描述气相中极性分子与液态聚乙二醇 (PEG) 的相互作用。衍生出PEG极性和亲水性对聚合物分子量的理论依赖性。在“极性-亲水性”坐标中绘制的这些依赖关系图与用作固定相的 PEG 特性的色谱数据非常吻合。