Molecular dynamics investigation on the infinite dilute diffusion coefficients of organic compounds in supercritical carbon dioxide

Fluid Phase Equilibria

Volumn 172, Issue 2, 2000, Pages 279-291

  Zhou, Jian ^a   Lu, Xiaohua ^a   Wang, Yanru ^a   Shi, Jun ^a  

^a NANJING TECH UNIVERSITY   (China)

Author keywords

Carbon dioxide; Diffusion coefficients; Lennard Jones potential; Molecular dynamics (MD); Molecular simulation; Supercritical fluids

Indexed keywords

1 OCTENE; 2 BUTANONE; ACETIC ACID ETHYL ESTER; ACETONE; ALKENE; ALPHA TOCOPHEROL; BENZALDEHYDE; BENZENE; BENZENE DERIVATIVE; CARBON DIOXIDE; CHLOROFORM; DICHLOROMETHANE; DIOXANE; ETHER; ETHER DERIVATIVE; FATTY ACID ESTER; INDOLE; JASMONE; MENADIONE; ORGANIC COMPOUND; PHENYLACETIC ACID; RETINOL ACETATE; SOLVENT; UNCLASSIFIED DRUG; VANILLIN;

ACCURACY; ARTICLE; COMPUTER SIMULATION; DIFFUSION COEFFICIENT; MODEL; MOLECULAR DYNAMICS; MOLECULAR WEIGHT; SUPERCRITICAL FLUID EXTRACTION; TECHNIQUE; TEMPERATURE; THEORY;

CARBON DIOXIDE; COMPUTER SIMULATION; DIFFUSION IN GASES; DRUG PRODUCTS; EQUATIONS OF STATE; MATHEMATICAL MODELS;

JOBACK-LYDERSEN METHODS; LENNARD-JONES POTENTIALS;

SUPERCRITICAL FLUID EXTRACTION;

EID: 0034608736     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0378-3812(00)00342-3     Document Type: Article

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