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DC Field | Value | Language |
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dc.contributor.advisor | Franzese, Giancarlo | - |
dc.contributor.author | Cámbara Ruiz, Guillermo | - |
dc.date.accessioned | 2016-03-08T18:10:03Z | - |
dc.date.available | 2016-03-08T18:10:03Z | - |
dc.date.issued | 2016-01 | - |
dc.identifier.uri | http://hdl.handle.net/2445/96268 | - |
dc.description | Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2016, Tutor: Giancarlo Franzese | ca |
dc.description.abstract | In living organisms and many applications water is nanoconfined. Here we study water confined between hydrophobic parallel walls as a function of the wall-wall separation Lz between 0.6 and 4.8 nm. We calculate response functions and density by Monte Carlo simulations at different temperatures and pressures of a many-body coarse-grained model of water that has been studied in previous works for the case of a single layer. For all the number of layers considered here we always find that water has density anomaly as in experimental bulk water and that it has a critical phase transition between two liquid phases with different structure, density and energy. We find that the phase diagram changes in a continuous way as the number of layers increases, suggesting that the liquid-liquid critical point should occur also in the bulk case. These results shed light onto the debated bulk-water phase diagram and could be relevant in nanotechnology applications and biological systems | ca |
dc.format.extent | 5 p. | - |
dc.format.mimetype | application/pdf | - |
dc.language.iso | eng | ca |
dc.rights | cc-by-nc-nd (c) Cámbara, 2016 | - |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/3.0/es/ | - |
dc.source | Treballs Finals de Grau (TFG) - Física | - |
dc.subject.classification | Mètode de Montecarlo | cat |
dc.subject.classification | Nanotecnologia | cat |
dc.subject.classification | Treballs de fi de grau | cat |
dc.subject.classification | Sistemes biològics | - |
dc.subject.other | Monte Carlo method | eng |
dc.subject.other | Nanotechnology | eng |
dc.subject.other | Bachelor's theses | eng |
dc.subject.other | Biological systems | - |
dc.title | Monte Carlo simulation of confined water | ca |
dc.type | info:eu-repo/semantics/bachelorThesis | ca |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | ca |
Appears in Collections: | Treballs Finals de Grau (TFG) - Física |
Files in This Item:
File | Description | Size | Format | |
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TFG_Fis_Cambara_Ruiz_Guillermo.pdf | 486.4 kB | Adobe PDF | View/Open |
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