Franzese, GiancarloCámbara Ruiz, Guillermo2016-03-082016-03-082016-01https://hdl.handle.net/2445/96268Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2016, Tutor: Giancarlo FranzeseIn 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 systems5 p.application/pdfengcc-by-nc-nd (c) Cámbara, 2016http://creativecommons.org/licenses/by-nc-nd/3.0/es/Mètode de MontecarloNanotecnologiaTreballs de fi de grauSistemes biològicsMonte Carlo methodNanotechnologyBachelor's thesesBiological systemsinfo:eu-repo/semantics/bachelorThesisinfo:eu-repo/semantics/openAccess