Determination of statistically reliable transport diffusivities from molecular dynamics simulation

Journal of Non-Newtonian Fluid Mechanics

Volumn 120, Issue 1-3, 2004, Pages 41-53

  Keffer, David J ^a   Edwards, Brian J ^a   Adhangale, Parag ^a  

^a University of Tennessee Knoxville   (United States)

Author keywords

Diffusivity; Molecular dynamics; Simulation; Transport

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; COMPUTER SIMULATION; ETHANE; HIGH PRESSURE EFFECTS; METHANE; MIXTURES; MOLECULAR DYNAMICS; RELIABILITY; STATISTICAL METHODS;

COMPOSITION DEPENDENCE; DARKEN EQUATION; LINEAR IRREVERSIBLE THERMODYNAMICS (LIT);

DIFFUSION IN LIQUIDS;

DIFFUSIVITY; MOLECULAR STRUCTURE; STATISTICAL ANALYSIS; TRANSPORT;

EID: 3242804301     PISSN: 03770257     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jnnfm.2004.01.014     Document Type: Article

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