Melting point and phase diagram of methanol as obtained from computer simulations of the OPLS model

Journal of Chemical Physics

Volumn 132, Issue 9, 2010, Pages

  Gonzalez Salgado, D ^a   Vega, C ^b  

^a UNIVERSITY OF VIGO   (Spain)

^b UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL VALUES; FLUID-PHASE; FLUID-SOLID COEXISTENCE; FREE-ENERGY CALCULATIONS; GIBBS-DUHEM INTEGRATION; HIGH PRESSURE; LOW PRESSURES; PHASE DIAGRAM PREDICTION; POTENTIAL MODEL; SOLID POLYMORPHS; SOLID STRUCTURES; SOLID-SOLID; THERMODYNAMICALLY STABLE;

COMPUTATIONAL METHODS; FORECASTING; FREE ENERGY; ICE; MELTING POINT; METHANOL; PHASE DIAGRAMS;

COMPUTER SIMULATION;

METHANOL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PHASE TRANSITION; TRANSITION TEMPERATURE;

COMPUTER SIMULATION; METHANOL; MODELS, CHEMICAL; PHASE TRANSITION; TRANSITION TEMPERATURE;

EID: 77949404265     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3328667     Document Type: Article

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