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Saeid Yeganegi

Saeid Yeganegi

Academic rank: Professor
ORCID: 0000-0003-0603-479X
Education: PhD.
ScopusId: 9274963900
Faculty: Faculty of Chemistry
Address: Dept. of Physical Chemistry, Faculty of Chemistry, University of Mazandaran
Phone: 011-3530-2380

Research

Title
Temperature Dependence of Thermal Diffusion Factor for Isotopic Binary Mixtures by Non-Equilibrium Molecular Dynamics Simulation
Type
JournalPaper
Keywords
non-equilibrium molecular dynamics, heat exchange algorithm, thermal diffusion factor, intermolecular potential, binary mixtures, temperature
Year
2003
Journal Journal of the Physical Society of Japan
DOI
Researchers Saeid Yeganegi

Abstract

We have studied the dependence of thermal diffusion factor to the temperature for supercritical dense equimolar isotopic binary mixtures ofatoms 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 ofthermal diffusion factor with temperature is very slow, and for higher mass ratio thermal diffusion factor increases with temperature. Based on the ratios ofcomponents ofenergy flux, microscopic mechanisms ofenergy transfer across the system are also analyzed.