Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation

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概要

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• We have studied the dependence of thermal diffusion factor to the temperature for supercritical dense equimolar Isotopic binary mixtures of atoms by direct Nonequilibrium molecular dynamics simulation method. The results showed that for these systems the sign of thermal diffusion factor and slope of it with respect to the temperature is positive. For low mass ratio the variation of thermal diffusion factor with temperature is very slow, and for higher mass ratio thermal diffusion factor increases with temperature. Based on the ratios of components of energy flux, microscopic mechanisms of energy transfer across the system are also analyzed.

• 社団法人日本物理学会の論文
• 2003-09-15

著者

• Yeganegi S

  Department Of Chemistry Faculty Of Basic Sciences University Of Mazandaran

• YEGANEGI Saeed

  Department of Chemistry Faculty of Basic Sciences, University of Mazandaran

• Yeganegi Saeed

  Department Of Chemistry Faculty Of Basic Sciences University Of Mazandaran

関連論文

• Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation
• Thermal Diffusion Factor of Binary Mixtures of Square Well Fluids(Condensed matter: structure and mechanical and thermal properties)
• Comparison of Efficiency Equilibrium and Non-Equilibrium Molecular Dynamics Calculations of Thermal Diffusion Factor(Condensed matter: structure and mechanical and thermal properties)
• Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation

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