Number of the records: 1  

Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water

  1. 1.
    0340734 - ÚCHP 2010 RIV US eng J - Journal Article
    Lísal, Martin - Nezbeda, Ivo - Smith, W.R.
    Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water.
    Journal of Physical Chemistry B. Roč. 108, č. 22 (2004), s. 7412-7414. ISSN 1520-6106. E-ISSN 1520-5207
    R&D Projects: GA ČR GA203/02/0764; GA AV ČR IAA4072309
    Grant - others:NRCC(CA) OGP 1041
    Institutional research plan: CEZ:AV0Z4072921
    Keywords : VLE * water * model
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 3.834, year: 2004

    Using the Gibbs ensemble Monte Carlo simulations, vapor-liquid equilibria in a new, reparametrized five-site model (TIP5P-E) of water have been determined and compared with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor-liquid equilibria properties the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model.
    Permanent Link: http://hdl.handle.net/11104/0005779

     
     
Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.