Molecular simulation of diffusion of hydrogen, carbon monoxide, and water in heavy n -alkanes

Journal of Physical Chemistry B

Volumn 115, Issue 6, 2011, Pages 1429-1439

  Makrodimitri, Zoi A ^a   Unruh, Dominik J M ^b   Economou, Ioannis G ^a,c  

^a INSTITUTE OF NANOSCIENCE AND NANOTECHNOLOGY   (Greece)

^b SHELL GLOBAL SOLUTIONS INTERNATIONAL B V   (United States)

^c KHALIFA UNIVERSITY   (United Arab Emirates)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON MONOXIDE; FORECASTING; HEAVY WATER; HYDROGEN; MAXWELL EQUATIONS; MOLECULAR DYNAMICS; PARAFFINS;

EXPERIMENTAL DATA; FICK DIFFUSION; FORCE FIELDS; MAXWELL-STEFAN DIFFUSION COEFFICIENTS; MODEL PREDICTION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; MUTUAL DIFFUSION COEFFICIENTS; N-ALKANES; PRESSURE VALUES; SELF-DIFFUSION; SELF-DIFFUSION COEFFICIENTS; SIMULATION RESULT; SOLUTE CONCENTRATIONS; STATISTICAL ASSOCIATING FLUID THEORY; STRUCTURE PROPERTY; THERMODYNAMIC FACTORS; UNITED ATOM FORCE FIELD;

DIFFUSION;

EID: 79951521700     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp1063269     Document Type: Article

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