| dc.contributor |
Franzese, Giancarlo |
|
| dc.creator |
Cámbara Ruiz, Guillermo |
|
| dc.date |
2016-03-08T18:10:03Z |
|
| dc.date |
2016-03-08T18:10:03Z |
|
| dc.date |
2016-01 |
|
| dc.date.accessioned |
2024-12-16T10:22:09Z |
|
| dc.date.available |
2024-12-16T10:22:09Z |
|
| dc.identifier |
http://hdl.handle.net/2445/96268 |
|
| dc.identifier.uri |
http://fima-docencia.ub.edu:8080/xmlui/handle/123456789/13862 |
|
| dc.description |
Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2016, Tutor: Giancarlo Franzese |
|
| dc.description |
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 |
|
| dc.format |
5 p. |
|
| dc.format |
application/pdf |
|
| dc.language |
eng |
|
| dc.rights |
cc-by-nc-nd (c) Cámbara, 2016 |
|
| dc.rights |
http://creativecommons.org/licenses/by-nc-nd/3.0/es/ |
|
| dc.rights |
info:eu-repo/semantics/openAccess |
|
| dc.source |
Treballs Finals de Grau (TFG) - Física |
|
| dc.subject |
Mètode de Montecarlo |
|
| dc.subject |
Nanotecnologia |
|
| dc.subject |
Treballs de fi de grau |
|
| dc.subject |
Sistemes biològics |
|
| dc.subject |
Monte Carlo method |
|
| dc.subject |
Nanotechnology |
|
| dc.subject |
Bachelor's theses |
|
| dc.subject |
Biological systems |
|
| dc.title |
Monte Carlo simulation of confined water |
|
| dc.type |
info:eu-repo/semantics/bachelorThesis |
|