Effect of electrostatics techniques on the estimation of thermal conductivity via equilibrium molecular dynamics simulation: Application to methane hydrate

Molecular Physics

Volumn 106, Issue 15, 2008, Pages 1887-1898

  English, Niall J ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

Electrostatics; Green Kubo; Methane hydrate; Molecular dynamics; Thermal conductivity

Indexed keywords

CARBON FIBER REINFORCED PLASTICS; DISSOCIATION; DYNAMICS; ELECTROSTATICS; GAS HYDRATES; HEAT FLUX; HEATING EQUIPMENT; HYDRATION; METHANE; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; REACTION KINETICS; THERMAL CONDUCTIVITY; THERMAL INSULATING MATERIALS; THERMOANALYSIS; THERMODYNAMIC PROPERTIES;

AUTOCORRELATION FUNCTIONS; ELECTROSTATIC; ELECTROSTATIC INTERACTIONS; EQUILIBRIUM MOLECULAR DYNAMICS; EQUILIBRIUM MOLECULAR DYNAMICS SIMULATIONS; FLUX VECTORS; GREEN-KUBO; LEKNER METHODS; METHANE HYDRATE; METHANE HYDRATES; PARAMETERIZED; PERIODIC; PHONON MEAN FREE PATHS; QUANTUM SIMULATIONS; REACTION FIELDS; REASONABLE AGREEMENTS; SYSTEM SIZES; WATER MODELS;

THERMOELECTRICITY;

EID: 54049154771     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802360348     Document Type: Article

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