Franzese, GiancarloMarqués, Manuel I.Stanley, H. Eugene (Harry Eugene), 1941-2011-07-072011-07-0720031063-651Xhttps://hdl.handle.net/2445/18812We 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=0.7 p.application/pdfeng(c) American Physical Society, 2003Equacions d'estatMètode de MontecarloTransformacions de fase (Física estadística)TermodinàmicaEquations of stateMonte Carlo methodPhase transformations (Statistical physics)ThermodynamicsIntramolecular coupling as a mechanism for a liquid-liquid phase transitioninfo:eu-repo/semantics/article513998info:eu-repo/semantics/openAccess