Prediction of the Low-k Behaviour of S(k) via a New Model for the DCF in Sub- and Supercritical Regions

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概要

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• We have presented a new model for the direct correlation function, DCF, of monatomic fluids. In this model the core of DCF has been assumed as Precus-Yevik function for the DCF of hard sphere and its tail has been considered a Mayer f-function type. In this way, an effective pair potential in a non-linear form has related the DCF to the interatomic interactions of system. We have compared our results with other known theoretical models, which are available in the literatures, by prediction of low-angle structure of factor, 5(k), via this model. In the critical region, the model is also able to predict the divergence of S(0) which is related to fluctuation phenomena. Our results show a better agreement with the experimental data at high temperature and low density where the contribution of three-body interaction is not considerable. The model is successful in presentation of the Ornestine-Zernike behaviour of S(k) in the small-k region and shows a new regularity that the minimum of 5(k) and its k-position varies linearly with density, which is correct just for insulator fluids.

• 社団法人日本物理学会の論文
• 2003-08-15

著者

• Rostami A

  Mazandaran Univ. Babolsar Irn

• Rostami Abbas

  Department Of Chemistry Faculty Of Basic Sciences Mazandaran University

• KESHAVARZI Ezat

  Department of Chemistry, Isfahan University of Technology

• NIKOOFARD Hossein

  Department of Chemistry, Faculty of Basic Sciences, Mazandaran University

• Keshavarzi E

  Department Of Chemistry Isfahan University Of Technology

• Keshavarzi Ezat

  Department Of Chemistry Isfahan University Of Technology

• Nikoofard Hossein

  Department Of Chemistry Faculty Of Basic Sciences Mazandaran University

関連論文

• Prediction of the Long-Range Correlation Length and the Structure Factor for Monatomic Fluids in the Supercritical Region (Condensed Matter : Structure, Mechanical and Thermal Properties)
• Prediction of the Low-k Behaviour of S(k) via a New Model for the DCF in Sub- and Supercritical Regions
• 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

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