{"id":91925,"date":"2018-03-11T10:10:48","date_gmt":"2018-03-11T10:10:48","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estructura-dinamica-y-termodinamica-de-agregados-moleculares-de-agua-en-presencia-de-interacciones-externas\/"},"modified":"2018-03-11T10:10:48","modified_gmt":"2018-03-11T10:10:48","slug":"estructura-dinamica-y-termodinamica-de-agregados-moleculares-de-agua-en-presencia-de-interacciones-externas","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica-del-agua\/estructura-dinamica-y-termodinamica-de-agregados-moleculares-de-agua-en-presencia-de-interacciones-externas\/","title":{"rendered":"Estructura, dinamica y termodinamica de agregados moleculares de agua en presencia de interacciones externas"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Briesta Sigo\u00f1e Gonzalez Gonzalez <\/strong><\/h2>\n<p>El tema central de esta tesis doctoral es el estudio de las interacciones de los agregados moleculares de agua con elementos externos, como son la inclusi\u00f3n de iones en el agregado, la acci\u00f3n de un campo el\u00e9ctrico uniforme con diferentes intensidades y la presencia de una superficie de grafito. Para este fin hemos dise\u00f1ado los potenciales de interacci\u00f3n que se establecen entre los distintos elementos que componen los agregados y hemos implementado varias t\u00e9cnicas computacionales para su estudio, como el m\u00e9todo de optimizaci\u00f3n global de basin-hopping (bh), la din\u00e1mica molecular cl\u00e1sica (dm) y el algoritmo de parallel tempering (pt). los estudios realizados los hemos separado en dos bloques: estudios estructurales y estudios din\u00e1micos y termodin\u00e1micos.  en los estudios estructurales hemos empleado el algoritmo bh para determinar las configuraciones de menor energ\u00eda de los agregados y hemos analizando la importancia de las diferentes contribuciones de los potenciales de interacci\u00f3n. Los sistemas estudiados han sido los siguientes: 1- los agregados de agua con iones de litio, calcio, fluor y cloro. 2- los agregados de agua con campos el\u00e9ctricos de baja, media y alta intensidad. 3- agregados de agua sobre grafito.  en los esdudios din\u00e1micos y termodin\u00e1micos hemos determinado la temperatura de transici\u00f3n de fase empleando dm \u00f3 pt. Para ello hemos empleado la curva de capacidad clor\u00edfica, la curva cal\u00f3rica y el par\u00e1metro de lindemann. Los sistemas estudiados han sido los siguientes: 1- transiciones de fase en peque\u00f1os agregados de agua 2- el oct\u00e1mero de agua en un campo el\u00e9ctrico unniforme<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estructura, dinamica y termodinamica de agregados moleculares de agua en presencia de interacciones externas<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estructura, dinamica y termodinamica de agregados moleculares de agua en presencia de interacciones externas <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Briesta Sigo\u00f1e Gonzalez Gonzalez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 La laguna<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 27\/02\/2009<\/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>Jos\u00e9 Bret\u00f3n Pe\u00f1a<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: julio alfonso Alonso mart\u00edn <\/li>\n<li>octavio Roncero villa (vocal)<\/li>\n<li>eva Gonz\u00e1lez noya (vocal)<\/li>\n<li>alfonso Mu\u00f1oz gonzalez (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Briesta Sigo\u00f1e Gonzalez Gonzalez El tema central de esta tesis doctoral es el estudio de las interacciones [&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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