{"id":84680,"date":"2018-03-10T00:08:59","date_gmt":"2018-03-10T00:08:59","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/termodinamica-estadistica-de-moleculas-flexibles-teoria-y-simulacion\/"},"modified":"2018-03-10T00:08:59","modified_gmt":"2018-03-10T00:08:59","slug":"termodinamica-estadistica-de-moleculas-flexibles-teoria-y-simulacion","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/termodinamica-estadistica-de-moleculas-flexibles-teoria-y-simulacion\/","title":{"rendered":"Termodinamica estadistica de moleculas flexibles: teoria y simulacion"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Luis Gonzalez Macdowell <\/strong><\/h2>\n<p>En esta memoria se estudian las propiedades cr\u00edticas y el equilibrio l\u00edquido-vapor de mol\u00e9culas fl\u00e9xibles, utilizando para ello las teor\u00edas de perturbaciones, las teor\u00edas de ecuaciones integrales(msa y rhnc) y los m\u00e9todos de simulaci\u00f3n molecular de monte carlo. Se propone una teor\u00eda de perturbaciones de tipo van der waals, en la que el sistema de referencia se describe mediante una modificaci\u00f3n de la ecuaci\u00f3n de wertheim, y la contribuci\u00f3n perturbativa se determina mediante un t\u00e9rmino de campo medio evaluado exactamente. La teor\u00eda se aplica a un modelo realista de alcano, en el que los distintos \u00e1tomos de carbono se tratan expl\u00edcitamente. De este modo, es posible describir cualitativamente las propiedades m\u00e1s significativas de alcanos lineales y ramificados, tanto en estado puro como en mezclas binarias. As\u00ed mismo, se predice el comportamiento cr\u00edtico en el l\u00edmite de tama\u00f1os infinitos, empleando para ello tanto la teor\u00eda de perturbaciones de campo medio, como la teor\u00eda de asociaci\u00f3n de wertheim, aplicada a un modelo idealizado de pol\u00edmero formado por centros de interacci\u00f3n lennard-jones. las distintas predicciones se contrastan con datos experimentales y con simulaciones de monte carlo en los colectivos nvt, npt y gran can\u00f3nico, as\u00ed como son estimaciones num\u00e9ricas de los segundos coeficientes del virial.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Termodinamica estadistica de moleculas flexibles: teoria y simulacion<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Termodinamica estadistica de moleculas flexibles: teoria y simulacion <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Luis Gonzalez Macdowell <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Complutense de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 26\/05\/2000<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Carlos Vega De Las Heras<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  jose Freire gomez <\/li>\n<li> Miguel agustino enrique de (vocal)<\/li>\n<li>george Jackson (vocal)<\/li>\n<li> Solana quiros Jos\u00e9 ramon (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Luis Gonzalez Macdowell En esta memoria se estudian las propiedades cr\u00edticas y el equilibrio l\u00edquido-vapor de mol\u00e9culas [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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