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http://diposit.ub.edu/dspace/handle/2445/18812| Title: | Intramolecular coupling as a mechanism for a liquid-liquid phase transition |
| Author: | Franzese, Giancarlo Marqués, Manuel I. Stanley, H. Eugene (Harry Eugene), 1941- |
| Keywords: | Equacions d'estat Mètode de Montecarlo Transformacions de fase (Física estadística) Termodinàmica Equations of state Monte Carlo method Phase transformations (Statistical physics) Thermodynamics |
| Issue Date: | 2003 |
| Publisher: | The American Physical Society |
| Abstract: | We study a model for water with a tunable intramolecular interaction Js, using mean-field theory and off-lattice Monte Carlo simulations. For all Js>~0, the model displays a temperature of maximum density. For a finite intramolecular interaction Js>0, our calculations support the presence of a liquid-liquid phase transition with a possible liquid-liquid critical point for water, likely preempted by inevitable freezing. For J=0, the liquid-liquid critical point disappears at T=0. |
| Note: | Reproducció del document publicat a: http://dx.doi.org/10.1103/PhysRevE.67.011103 |
| It is part of: | Physical Review E, 2003, vol. 67, núm. 1, p. 011103-1-011103-7 |
| URI: | https://hdl.handle.net/2445/18812 |
| Related resource: | http://dx.doi.org/10.1103/PhysRevE.67.011103 |
| ISSN: | 1063-651X |
| Appears in Collections: | Articles publicats en revistes (Física de la Matèria Condensada) |
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| File | Description | Size | Format | |
|---|---|---|---|---|
| 513998.pdf | 101.82 kB | Adobe PDF | View/Open |
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