Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: A review

Molecular Simulation

Volumn 34, Issue 2, 2008, Pages 119-146

  Turner, C Heath ^a   Brennan, John K ^b   Lisal, Martin ^c,d   Smith, William R ^e   Karl Johnson, J ^f   Gubbins, Keith E ^g  

^a University of Alabama   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

^c INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^d J E PURKINJE UNIVERSITY   (Czech Republic)

^e UNIVERSITY OF ONTARIO INSTITUTE OF TECHNOLOGY   (Canada)

^f University of Pittsburgh   (United States)

^g North Carolina State University   (United States)

Author keywords

Equilibria; Monte Carlo; Reaction; Simulation

Indexed keywords

CHEMICAL BONDS; CHEMICAL ENGINEERING; CHEMICAL REACTIONS; FORECASTING; MANAGEMENT SCIENCE; MATHEMATICAL MODELS; MOLECULES; MONTE CARLO METHODS; NEWTONIAN FLOW; NUMERICAL ANALYSIS; PHASE EQUILIBRIA; PHASE SEPARATION; PILES; REACTION KINETICS; SEPARATION; STANDARDS; SURFACE REACTIONS;

ADIABATIC CONDITIONS; AT PHASE; CATALYST DESIGNS; CHAIN MOLECULES; CHEMICAL-; CHEMICALLY REACTING SYSTEMS; ENERGY DATA; EQUILIBRIA; HIGH PRESSURE; HIGH TEMPERATURE; INTERMOLECULAR FORCES; INTERNAL ENERGIES; MESO-SCALE; MONTE CARLO; NANOPOROUS MATERIALS; NON-IDEAL CONDITIONS; POROUS SOLIDS; REACTING SYSTEMS; REACTION; REACTION EQUILIBRIUM; SHOCK PHYSICS; SIMULATION; SOLID SURFACES; TO MANY;

PHASE INTERFACES;

EID: 46049108723     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020801986564     Document Type: Conference Paper

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