Effects of intermolecular interactions and solvent properties on the solid-liquid phase equilibrium of isosorbide 5-mononitrate

Yuechao Cao,Junli Zhang,Xuxing Wan,Shengzhe Jia,Guimin Zhang,Zongyi Zhou,Songgu Wu

Journal of Molecular Liquids（2022）

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摘要

The solute-solvent interaction was studied by the radial distribution function and solvation free energy. It was closely related to the dissolution behavior of isosorbide 5-mononitrate. Meanwhile, the solubility of isosorbide 5-mononitrate was determined by the physicochemical properties of the solvents.

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关键词

Solubility,Solvent effects,Thermodynamic property analysis,Molecular dynamics simulations,Isosorbide 5-mononitrate

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