{"id":26359,"date":"2018-03-09T09:18:08","date_gmt":"2018-03-09T09:18:08","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/trasnport-and-structural-properties-of-aqueous-solutions-of-organic-solvents\/"},"modified":"2018-03-09T09:18:08","modified_gmt":"2018-03-09T09:18:08","slug":"trasnport-and-structural-properties-of-aqueous-solutions-of-organic-solvents","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/rovira-i-virgili\/trasnport-and-structural-properties-of-aqueous-solutions-of-organic-solvents\/","title":{"rendered":"Trasnport and structural properties of aqueous solutions of organic solvents"},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Nieto Draghi Carlos Eduardo <\/strong><\/h2>\n<p>El comportamiento peculiar observado por el agua a diferentes condiciones termodin\u00e1micas y en presencia de otras substancias, el conocimiento y entendimiento de la propiedades de este tipo de sistemas est\u00e1n entre las principales motivaciones de este trabajo. Por tal motivo, se ha realizado un extenso estudio de las relaciones intr\u00ednsecas existentes entre la estructura local del sistema, desde un punto de vista microsc\u00f3pico, y las propiedades din\u00e1micas de transporte, tanto en el caso del agua pura como en el caso de mezclas acuosas de solventes org\u00e1nicos (como alcoholes, cetonas sulf\u00f3xidos y benceno) por medio de la simulaci\u00f3n din\u00e1mica molecular. Adicionalmente se han desarrollado nuevas herramientas anal\u00edticas y algoritmos de simulaci\u00f3n destinados a brindar una mejor descripci\u00f3n y comprensi\u00f3n de los procesos f\u00edsicos microsc\u00f3picos involucrados en las diferentes propiedades estudiadas.  los resultados obtenidos nos han permitido relacionar de una manera directa la estructura tetra\u00e9drica local de las mol\u00e9culas de agua, creada por la presencia de los puentes de hidr\u00f3geno, y el valor que alcanza el coeficiente de auto-difusi\u00f3n en condiciones de densidad de l\u00edquido. El an\u00e1lisis de los resultados de simulaci\u00f3n muestra que la presencia de diferentes tipos de soluto y la ruptura de la simetr\u00eda tiene como consecuencia un incremento del tiempo de vida de los puentes de hidr\u00f3geno presentes en la mezcla, favoreciendo la formaci\u00f3n de estructuras de tipo  cadena, hecho que justifica el aumento observado en la viscosidad de la mezcla. Por otro lado se ha calculado el coeficiente de soret para soluciones acuosas de los compuestos org\u00e1nicos antes mencionados. Nuestras simulaciones reproducen el camibo de signo observado en estos sistemas obteniendo un acuerdo cuantitativo excelente con los datos experimentales y, por lo que a nuestro conocimiento respecta, esta es la primera vez que dichos resultados en este tipo de sistemas son pr<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Trasnport and structural properties of aqueous solutions of organic solvents<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Trasnport and structural properties of aqueous solutions of organic solvents <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Nieto Draghi Carlos Eduardo <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Rovira i virgili<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 17\/10\/2003<\/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 Bonet Avalos<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: bjorn Hafskjold <\/li>\n<li>carles Bo jan\u00e9 (vocal)<\/li>\n<li>elvira Gu\u00ed\u00a0rdia manuel (vocal)<\/li>\n<li>dolors Salvatierra (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Nieto Draghi Carlos Eduardo El comportamiento peculiar observado por el agua a diferentes condiciones termodin\u00e1micas y en [&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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