Using molecular dynamic simulation data of calcite in a wide pressure range to calculate some of its thermodynamic properties via some universal equations of state

Molecular Physics

Volumn 106, Issue 21-23, 2008, Pages 2545-2556

  Akbarzadeh, Hamed ^a   Shokouhi, Mohammad ^a   Parsafar, Gholam Abbas ^a,b  

^a SHARIF UNIVERSITY OF TECHNOLOGY   (Iran)

^b UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Calcite; Intermolecular potential; Linear isotherm regularity; Molecular dynamic simulation; Universal equation of state

Indexed keywords

CARBONATE MINERALS; COMPUTER SIMULATION; DYNAMICS; EQUATIONS OF STATE; ISOTHERMS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; THERMAL EXPANSION; THERMAL SPRAYING;

CRITICAL EXPONENTS; INTERMOLECULAR POTENTIAL; ISOTHERMAL BULK MODULUS; LENNARD JONESES; LINEAR ISOTHERM REGULARITY; MD DATUMS; MOLECULAR DYNAMIC SIMULATION; PRESSURE RANGES; SPINODAL; TEMPERATURE DEPENDENCIES; TEMPERATURE RANGES; UNIVERSAL EQUATION OF STATE; UNIVERSAL EQUATIONS; ZERO PRESSURES;

CALCITE;

EID: 57749085483     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970802592379     Document Type: Article

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