Molecular-level simulations of chemical reaction equilibrium for nitric oxide dimerization reaction in disordered nanoporous carbons

Fluid Phase Equilibria

Volumn 272, Issue 1-2, 2008, Pages 18-31

  Lísal, Martin ^a,b   Cosoli, Paolo ^c   Smith, William R ^d   Jain, Surendra K ^e   Gubbins, Keith E ^e  

^a INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^b J E PURKINJE UNIVERSITY   (Czech Republic)

^c UNIVERSITY OF TRIESTE   (Italy)

^d UNIVERSITY OF ONTARIO INSTITUTE OF TECHNOLOGY   (Canada)

^e North Carolina State University   (United States)

Author keywords

Disordered nanoporous carbon; Macroscopic adsorption model; Reaction Ensemble Monte Carlo; Reaction equilibrium; Reactive adsorption isotherm

Indexed keywords

CHEMICAL REACTIONS; NEWTONIAN FLOW; NITRIC OXIDE;

CHEMICAL REACTION EQUILIBRIUM; DISORDERED NANOPOROUS CARBON; MACROSCOPIC ADSORPTION MODEL; MOLECULAR LEVELS; NANOPOROUS CARBONS; NITRIC OXIDES; REACTION ENSEMBLE MONTE CARLO; REACTION EQUILIBRIUM; REACTIVE ADSORPTION ISOTHERM; SIMULATION STUDIES;

DIMERIZATION;

EID: 52349099609     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2008.07.015     Document Type: Article

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