Using Molecular Simulation to Compute Transport Coefficients of Molecular Gases
نویسندگان
چکیده
منابع مشابه
Structure and Transport Coefficients of Liquid Argon and Neon using Molecular Dynamics Simulation
Molecular dynamics simulation was employed to deduce the dynamics property distribution function of Argon and Neon liquid. With the use of a Lennnard-Jones pair potential model, an inter-atomic interaction function was observed between pair of particles in a system of many particles, which indicates that the pair distribution function determines the structures of liquid Argon. This distribution...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2020
ISSN: 1520-6106,1520-5207
DOI: 10.1021/acs.jpcb.0c04462