The Direct Correlation Function and Its Interpretation via the Linear Isotherm Regularity
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概要
- 論文の詳細を見る
The contributions of all non-ideally effects which arise from excluded volume, attractive and repulsive forces have been separated and investigated in the direct correlation function, DCF, using the Linear Isotherm Regularity, LIR for dense fluids. In such away we have shown that the core of the DCF (0<r<σ) is related to the geometric effect which arises from the excluded volume, while the intermolecular interactions have an important role in the tail (σ<r<∞). Also mathematical expressions for the core and tail of the DCF have been presented via the bulk modulus and the LIR. These new expressions beside of satisfying the experimental DCF can also generate the structural factor of fluids. The other issue that we discuss in this article and should be noticed separately, is the effective pair potential. The effective pair potential is the intermolecular pair interactions in presence of the other molecules of the system. We have shown that the well depth of such an effective pair potential is shallower than that of the isolated pair which is in accordance with the reported results in the literatures. Our results suggest that the net effect of the medium on interactions between two molecules is positive (repulsion).
- Physical Society of Japanの論文
- 2001-07-15
著者
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Parsafar Gholamabbas
Department Of Chemistry Isfahan University Of Technology
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Keshavarzi Ezat
Department Of Chemistry Isfahan University Of Technology
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Keshavarzi Ezat
Department of Chemistry, Faculty of Basic Sciences, Mazandaran University, Babolsar, Iran
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Parsafar Gholamabbas
Department of Chemistry, Isfahan University of Technology, Isfahan, 84154, Iran
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- Hard-Like Equation of State (Condensed Matter: Structure, Mechanical and Thermal Properties)
- Solubility Prediction Using Statistical Mechanics
- The Direct Correlation Function and Its Interpretation via the Linear Isotherm Regularity