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Volumn 187-188, Issue , 2001, Pages 139-153

Models for predicting solubilities of 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitro-1,3,5-s-triazine (RDX) in supercritical CO2: Isothermal-isobaric Monte Carlo simulations

(4) Agrawal, Paras M a,b Rice, Betsy M c Sorescu, Dan C a,d Thompson, Donald L a

a OKLAHOMA STATE UNIVERSITY (United States)

b VIKRAM UNIVERSITY (India)

c U S ARMY RESEARCH LABORATORY (United States)

d UNIVERSITY OF PITTSBURGH (United States)

Author keywords

1,3,5 Trinitro s triazine (RDX); 2,4,6 Trinitrotoluene (TNT); Carbon dioxide; Chemical potential; Molecular simulation; Monte Carlo simulation; Solubility; Supercritical fluid; Widom test particle method

Indexed keywords

ADDITIVES; CARBON DIOXIDE; EXPLOSIVES; HIGH PRESSURE EFFECTS; MONTE CARLO METHODS; SOLUBILITY; THERMAL EFFECTS;

WIDOM TEST PARTICLE METHODS;

PHASE EQUILIBRIA;

CARBON DIOXIDE; TRIAZINE DERIVATIVE; TRINITROTOLUENE;

CARBON DIOXIDE; ORGANIC COMPOUND; SOLUBILITY; SUPERCRITICAL FLUID;

ANISOTROPY; ARTICLE; CALCULATION; CHEMICAL INTERACTION; LIQUID; MODEL; PREDICTION; SIMULATION; SOLUBILITY;

EID: 0035884257 PISSN: 03783812 EISSN: None Source Type: Journal
DOI: 10.1016/S0378-3812(01)00533-7 Document Type: Article

Times cited : (17)

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