Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations

Fluid Phase Equilibria

Volumn 368, Issue , 2014, Pages 80-90

  Aimoli, Cassiano G ^a,b,c   Maginn, Edward J ^c   Abreu, Charlles R A ^b,d  

^a Santos Basin Exploration and oProduction Operations Unit   (Brazil)

^b UNIVERSITY OF CAMPINAS   (Brazil)

^c University of Notre Dame   (United States)

^d FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

Author keywords

Carbon dioxide; Methane; Molecular simulation; Pre salt; Thermodynamic properties

Indexed keywords

ISOTHERMAL COMPRESSIBILITY; JOULE-THOMSON COEFFICIENT; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SIMULATIONS; PENG-ROBINSON EQUATION OF STATE; PRE SALTS; TEMPERATURE AND PRESSURES; VAPOR-LIQUID COEXISTENCE CURVE;

BINARY MIXTURES; CARBON DIOXIDE; CURVE FITTING; EQUATIONS OF STATE; FORECASTING; ISOTHERMS; LIQUID METHANE; METHANE; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; SUPERCRITICAL FLUID EXTRACTION; VAPORS;

THERMODYNAMIC PROPERTIES;

EID: 84897714618     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fluid.2014.02.001     Document Type: Article

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