Liquid polymorphism and density anomaly in a three-dimensional associating lattice gas.

Girardi, Mauricio; Balladares, Aline L; Henriques, Vera B; Barbosa, Marcia C

Girardi, Mauricio; Balladares, Aline L; Henriques, Vera B; Barbosa, Marcia C.

Afiliação

Girardi M; Universidade Federal de Pelotas-UNIPAMPA/Bagé, Rua Carlos Barbosa SN, CEP 96400-970 Bagé, Rio Grande do Sul, Brazil. mgirardi@fge.if.usp.br

J Chem Phys ; 126(6): 064503, 2007 Feb 14.

Article em En | MEDLINE | ID: mdl-17313225

RESUMO

The authors investigate the phase diagram of a three-dimensional associating lattice gas (ALG) model. This model combines orientational icelike interactions and "van der Waals" that might be repulsive, representing, in this case, a penalty for distortion of hydrogen bonds. These interactions can be interpreted as two competing distances, making the connection between this model and continuous isotropic soft-core potentials. The authors present Monte Carlo studies of the ALG model showing the presence of two liquid phases, two critical points, and density anomaly.

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Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Risk_factors_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2007 Tipo de documento: Article País de afiliação: Brasil País de publicação: Estados Unidos

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