Molecular simulation of vapor-liquid equilibria of toxic gases

Fluid Phase Equilibria

Volumn 220, Issue 1, 2004, Pages 1-6

  Lin, Wu ^a   Yang, Qingyuan ^a   Zhong, Chongli ^a  

^a BEIJING UNIVERSITY OF CHEMICAL TECHNOLOGY   (China)

Author keywords

Critical property; Gibbs ensemble; Molecular simulation; Stockmayer potential; Toxic substances; Vapor liquid equilibria

Indexed keywords

DATA REDUCTION; GASES; HYDROGEN SULFIDE; MONTE CARLO METHODS;

NITROUS OXIDE; PHOSGENE; VAPOR-LIQUID EQUILIBRIA (VLE);

TOXIC MATERIALS;

HYDROGEN SULFIDE; NITROUS OXIDE; PHOSGENE; TOXIC GAS;

COMPUTER SIMULATOR; GAS; MOLECULAR STRUCTURE; TOXICITY; VAPOR-LIQUID EQUILIBRIUM;

ARTICLE; DATA ANALYSIS; DENSITY; MOLECULAR DYNAMICS; MOLECULAR MODEL; PRESSURE; REGRESSION ANALYSIS; SIMULATION; TEMPERATURE;

EID: 2942525871     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2004.02.015     Document Type: Article

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