Publication: Simulación de agua confinada y electrolitos
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2020-11-10
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Universidad Complutense de Madrid
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Abstract
El agua es un elemento esencial para la vida. Aunque es la molécula más abundante en nuestro planeta existiendo en fases vapor, líquido y sólido, su diagrama de fases continúa siendo objeto de estudio debido a su complejidad: por ejemplo, el agua en fase sólida llega a existir hasta en 18 fases cristalinas. [6] Hasta ahora, se han llevado a cabo muchos estudios para resolverlos desafíos que plantea el agua, como la supuesta existencia de una transición líquido-líquido [12, 17, 24, 25], la transición vítrea [7, 9, 19, 22] ola nucleación de hielo [10, 13, 18].El agua congela a 0 (273 K) en condiciones normales de presión, sin embargo, es posible tener agua líquida metaestable subenfriada hasta -40 C( 233 K). Cuando la temperatura es suficientemente baja, la transición líquido-sólido tiene lugar, es decir, las moléculas de agua se organizan en pequeños embriones de hielo mediante un mecanismo denominado nucleación. Para que la nucleación ocurra, el líquido metaestable debe superar una barrera de energía libre y transformarse en la fase termodinámicamente más estable, el sólido, que en este caso también se conoce como hielo...
Water is essential for life. Even though it is the most abundant molecule in our planet existing in vapour-liquid and solid phases, its ice-liquid phase diagram has not been fully understood yet because of its complexity: for example, water in solid phase can present 18 crystalline forms. [6]. So far, many studies have been developed in order to shed light on the water issues, such as liquid-liquid transition, [12, 17, 24, 25] glass transition [7, 9, 19, 22] or ice nucleation [10, 13, 18]. Bulk water freezes at 0 (273 K) at normal conditions of pressure, however, in theory, it is possible to prepare metastable super cooled liquid waterd own to -40C ( 233 K). Once temperature is low enough, a liquid-solid phase transition takes place: water molecules organise in small ice embryosvia a mechanism named "nucleation". In order for nucleation to take place,the metastable liquid has to overcome a free-energy barrier to phase transform into the thermodynamically stable ice phase...
Water is essential for life. Even though it is the most abundant molecule in our planet existing in vapour-liquid and solid phases, its ice-liquid phase diagram has not been fully understood yet because of its complexity: for example, water in solid phase can present 18 crystalline forms. [6]. So far, many studies have been developed in order to shed light on the water issues, such as liquid-liquid transition, [12, 17, 24, 25] glass transition [7, 9, 19, 22] or ice nucleation [10, 13, 18]. Bulk water freezes at 0 (273 K) at normal conditions of pressure, however, in theory, it is possible to prepare metastable super cooled liquid waterd own to -40C ( 233 K). Once temperature is low enough, a liquid-solid phase transition takes place: water molecules organise in small ice embryosvia a mechanism named "nucleation". In order for nucleation to take place,the metastable liquid has to overcome a free-energy barrier to phase transform into the thermodynamically stable ice phase...
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Tesis inédita de la Universidad Complutense de Madrid, Facultad de Ciencias Físicas, Departamento de Ingeniería Física, leída el 13-11-2019