A ‘‘RISM’’ theory for multicomponent molecular fluids

作者: M. Lombardero , E. Enciso

DOI: 10.1063/1.441198

关键词: Homonuclear moleculeDiagramMolecular geometryPhysical chemistryHard spheresBinary numberThermodynamicsDiatomic moleculeMoleculeChemistry

摘要: The Chandler–Andersen RISM theory is extended to multicomponent molecular fluids made up of molecules consisting fused hard spheres. Following these authors the diagram technique, as formulated by Morita and Hiroike, used obtain equation for mixtures. This solved a binary mixture formed spheres homonuclear hard‐sphere diatomics; correlation functions obtained are investigate structural properties Ar/N2 behavior with density, geometry, concentration in an arbitrary atomic/diatomic also examined.

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