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TFG_Fis_Cambara_Ruiz_Guillermo.pdf (486.4 KB)

Tipus de document

Treball de fi de grau

Data de publicació

2016-01

Llicència de publicació

cc-by-nc-nd (c) Cámbara, 2016
Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/96268

Monte Carlo simulation of confined water

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Resum

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

Descripció

Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2016, Tutor: Giancarlo Franzese

Matèries

Mètode de Montecarlo, Nanotecnologia, Treballs de fi de grau, Sistemes biològics

Matèries (anglès)

Monte Carlo method, Nanotechnology, Bachelor's theses, Biological systems

Citació

Col·leccions

Treballs Finals de Grau (TFG) - Física

Citació

CÁMBARA RUIZ, Guillermo. Monte Carlo simulation of confined water. [consulted: 5 of August of 2026]. Available at: https://hdl.handle.net/2445/96268

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