Constructing a force interaction model for thermal conductivity computation using molecular dynamics simulation: Ethylene glycol as an example

Journal of Chemical Physics

Volumn 134, Issue 15, 2011, Pages

  Lin, Yung Sheng ^a   Hsiao, Pai Yi ^a   Chieng, Ching Chang ^a  

^a NATIONAL TSING HUA UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC LEVELS; FORCE INTERACTION; GREEN-KUBO RELATIONS; H-BONDS; INTRAMOLECULAR INTERACTIONS; LIQUID PROPERTIES; MACROSCOPIC PROPERTIES; MOLECULAR DYNAMIC SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR SHAPES; MOLECULAR SYSTEMS; TORSIONAL ANGLE; TRANSFER MODES;

COMPUTER SIMULATION; ETHYLENE; ETHYLENE GLYCOL; LIQUIDS; MOLECULAR DYNAMICS;

THERMAL CONDUCTIVITY;

ETHYLENE GLYCOL;

ARTICLE; CHEMISTRY; CONFORMATION; DIFFUSION; HYDROGEN BOND; ISOMERISM; MOLECULAR DYNAMICS; ROTATION; TEMPERATURE; THERMAL CONDUCTIVITY;

DIFFUSION; ETHYLENE GLYCOL; HYDROGEN BONDING; ISOMERISM; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; ROTATION; TEMPERATURE; THERMAL CONDUCTIVITY;

EID: 79955424341     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3578184     Document Type: Article

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