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Volumn 105, Issue 40, 2001, Pages 9840-9848

Direct Gibbs ensemble Monte Carlo simulations for solid-vapor phase equilibria: Applications to Lennard-Jonesium and carbon dioxide

Author keywords

[No Author keywords available]

Indexed keywords

SOLID-VAPOR PHASE EQUILIBRIA;

EID: 0035846406     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011950p     Document Type: Article
Times cited : (100)

References (48)
  • 32
    • 2242461721 scopus 로고    scopus 로고
    • note
    • For obvious reasons, one should not use individual sampling of cell lengths or H-matrix elements for simulations of liquid slabs. In this case, the system will succeed to lower its free energy by shrinking the vapor-liquid interfacial area. The symmetry of the crystalline phase prevents a similar problem for the solid-slab simulations.
  • 41
    • 2242446609 scopus 로고    scopus 로고
    • note
    • The internal energy and density of the solid phase were calculated by averaging only over the central region of the solid slab.
  • 42
    • 2242450121 scopus 로고    scopus 로고
    • Unpublished results, 2001
    • Potoff, J.J. Unpublished results, 2001.
    • Potoff, J.J.1
  • 47
    • 0013288246 scopus 로고    scopus 로고
    • Thermophysical properties of fluid systems
    • NIST Standard Reference Database Number 69; Mallard, W.G., Linstrom, P.J., Eds.: Gaithersburg, MD
    • Lemmon, E.W.; McLinden, M.O.; Friend, D.G. Thermophysical Properties of Fluid Systems. In NIST Chemistry WebBook; NIST Standard Reference Database Number 69; Mallard, W.G., Linstrom, P.J., Eds.; National Institute of Standards and Technology: Gaithersburg, MD, 2000 (http://webbook.nist.gov).
    • (2000) NIST Chemistry WebBook
    • Lemmon, E.W.1    McLinden, M.O.2    Friend, D.G.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.