Tiling in the geometric model for water
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| Format: | Artículo científico |
| Sprache: | en |
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Sociedade Brasileira de Física
2004
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| _version_ | 1876470692852006912 |
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| author | M. Girardi |
| author_facet | M. Girardi |
| contents | Tiling in the geometric model for water M. Girardi W. Figueiredo N. Guisoni V. B. Henriques Física, Astronomía y Matemáticas Hydrogen bonded liquids like water present a rich thermodynamic behaviour due to the strength and directionalityof the bonds. In a recent paper a geometric model based on Bernals model for liquids was proposed tostudy the effects of the hydrogen bonds on the phase transitions of water, under pressure and temperature variations.Water molecules were assumed to stay at the vertices of coordination r (r = 4; 5; 6) of perfectly tiledpolygons, and to have four links which allow up to four hydrogen bonds per particle. Mean field calculationsyielded a phase diagram with three phases of different densities and a critical point at the end of the coexistenceline between the high and low density phases. The three phases were considered to be liquids of different densities.In the present work we have shown that applying some geometric constraints to particle arrangements(thus correcting the system entropy, which was overestimated in the previous work), and allowing a variablenumber of links per molecule, leads to substantial alteration of the phase diagram. Three phases of differentdensities are still present, but no critical point appears. Two of the phases are solid, and one phase is amorphous. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434104 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.1 Vol.34 |
| format | Artículo científico |
| id | redalyc_46434104 |
| institution | Redalyc |
| language | en |
| publishDate | 2004 |
| publisher | Sociedade Brasileira de Física |
| spellingShingle | Tiling in the geometric model for water M. Girardi Física, Astronomía y Matemáticas Tiling in the geometric model for water M. Girardi W. Figueiredo N. Guisoni V. B. Henriques Física, Astronomía y Matemáticas Hydrogen bonded liquids like water present a rich thermodynamic behaviour due to the strength and directionalityof the bonds. In a recent paper a geometric model based on Bernals model for liquids was proposed tostudy the effects of the hydrogen bonds on the phase transitions of water, under pressure and temperature variations.Water molecules were assumed to stay at the vertices of coordination r (r = 4; 5; 6) of perfectly tiledpolygons, and to have four links which allow up to four hydrogen bonds per particle. Mean field calculationsyielded a phase diagram with three phases of different densities and a critical point at the end of the coexistenceline between the high and low density phases. The three phases were considered to be liquids of different densities.In the present work we have shown that applying some geometric constraints to particle arrangements(thus correcting the system entropy, which was overestimated in the previous work), and allowing a variablenumber of links per molecule, leads to substantial alteration of the phase diagram. Three phases of differentdensities are still present, but no critical point appears. Two of the phases are solid, and one phase is amorphous. 2004 artículo científico 0103-9733 https://www.redalyc.org/articulo.oa?id=46434104 en http://www.redalyc.org/revista.oa?id=464 Brazilian Journal of Physics application/pdf Sociedade Brasileira de Física Brazilian Journal of Physics (Brasil) Num.1 Vol.34 |
| title | Tiling in the geometric model for water |
| topic | Física, Astronomía y Matemáticas |
| url | https://www.redalyc.org/articulo.oa?id=46434104 |