Use of Boundary-Driven Nonequilibrium Molecular Dynamics for Determining Transport Diffusivities of Multicomponent Mixtures in Nanoporous Materials
Author(s) -
Maziar FayazTorshizi,
Weilun Xu,
Joseph R. Vella,
Bennett D. Marshall,
Peter I. Ravikovitch,
Erich A. Müller
Publication year - 2022
Publication title -
the journal of physical chemistry b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.864
H-Index - 392
eISSN - 1520-6106
pISSN - 1520-5207
DOI - 10.1021/acs.jpcb.1c09159
Subject(s) - porous medium , diffusion , nanoporous , non equilibrium thermodynamics , molecular diffusion , methane , molecular dynamics , flow (mathematics) , fluid dynamics , boundary (topology) , materials science , transport phenomena , mechanics , mass transfer , boundary value problem , chemical physics , porosity , thermodynamics , chemistry , nanotechnology , physics , mathematical analysis , metric (unit) , operations management , computational chemistry , organic chemistry , mathematics , quantum mechanics , economics , composite material
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