The effect of flexibility on thermodynamic and structural properties in methane hydrates

Molecular Simulation

Volumn 34, Issue 7, 2008, Pages 661-670

  Castillo Borja, Florianne ^a   Vázquez Román, Richart ^b   Bravo Sánchez, Ulises ^a  

^a INSTITUTO TECNOLÓGICO DE AGUASCALIENTES   (Mexico)

^b DEPARTAMENTO DE INGENIERÍA QUÍMICA   (Mexico)

Author keywords

Methane hydrate; Molecular dynamics; Radial distribution functions; Rigid and flexible molecules

Indexed keywords

DYNAMICS; HYDRATES; HYDRATION; MECHANICS; METHANE; MOLECULAR DYNAMICS; MOLECULES; QUANTUM CHEMISTRY; THERMODYNAMICS; VAN DER WAALS FORCES;

DEGREES OF FREEDOM; EFFECT OF TEMPERATURE; FLEXIBLE MODELING; FLEXIBLE MOLECULES; GUEST MOLECULES; LATTICE PARAMETERS; METHANE HYDRATE; METHANE HYDRATES; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATION; PRESSURE CONDITIONS; RADIAL DISTRIBUTION FUNCTIONS; RIGID AND FLEXIBLE MOLECULES; RIGID GEOMETRY; RIGID MODEL; ROTATIONAL DEGREES OF FREEDOM; STRUCTURAL PROPERTIES; TEMPERATURE INCREASE; TEMPERATURE RANGES; THERMODYNAMIC PROPERTIES; VAN DER WAALS;

DISTRIBUTION FUNCTIONS;

EID: 49649106670     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802036062     Document Type: Article

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