Monte Carlo simulations of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB): Pressure and temperature effects for the solid phase and vapor-liquid phase equilibria

Journal of Chemical Physics

Volumn 129, Issue 19, 2008, Pages

  Rai, Neeraj ^a   Bhatt, Divesh ^a   Siepmann, J Ilja ^a   Fried, Laurence E ^b  

^a University of Minnesota   (United States)

^b LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMINES; CURVE FITTING; FORECASTING; MONTE CARLO METHODS; THERMAL EXPANSION; THERMAL SPRAYING; VAPORS;

AROMATIC RINGS; COEXISTENCE CURVES; COHESIVE ENERGIES; CRITICAL TEMPERATURES; ELEVATED TEMPERATURES; FORCE FIELDS; GIBBS ENSEMBLES; LIQUID PHASE; LIQUID RANGES; MONTE CARLO SIMULATIONS; PARAMETRIZATION; PERCENTAGE ERRORS; PRESSURE AND TEMPERATURES; PRESSURE DEPENDENCES; SOLID STATES; TRINITROBENZENE; UNIT CELL LENGTHS; UNIT CELLS;

PHASE EQUILIBRIA;

EID: 56849100154     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3006054     Document Type: Article

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