Computer simulations on aggregation of acetic acid in the gas phase, liquid phase, and supercritical carbon dioxide

Journal of Physical Chemistry A

Volumn 114, Issue 16, 2010, Pages 5377-5388

  Xu, Wenhao ^a   Yang, Jichu ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AGGREGATE SIZE; CARBONYL OXYGEN; COEXISTENCE CURVE; EXPERIMENTAL MEASUREMENTS; GASPHASE; HYDROGEN BONDINGS; LIQUID PHASE; SEMI-EMPIRICAL; SOLUTION MODEL; SUPERCRITICAL CARBON DIOXIDES; THREE PHASIS;

ACETIC ACID; ACIDS; CARBON DIOXIDE; COMPUTATIONAL METHODS; COMPUTER CRIME; GASES; HYDROGEN; HYDROGEN BONDS; LIQUIDS; METAL ANALYSIS; MOLECULAR ORBITALS; MONTE CARLO METHODS; OXYGEN; PH EFFECTS; SUPERCRITICAL FLUID EXTRACTION;

COMPUTER SIMULATION;

ACETIC ACID; CARBON DIOXIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; GAS; HYDROGEN BOND; MONTE CARLO METHOD;

ACETIC ACID; CARBON DIOXIDE; COMPUTER SIMULATION; GASES; HYDROGEN BONDING; MODELS, CHEMICAL; MONTE CARLO METHOD;

EID: 77951571292     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp100040j     Document Type: Article

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