{"id":60940,"date":"2018-03-09T22:48:47","date_gmt":"2018-03-09T22:48:47","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/molecular-modeling-of-self-assembling-hybrid-materials\/"},"modified":"2018-03-09T22:48:47","modified_gmt":"2018-03-09T22:48:47","slug":"molecular-modeling-of-self-assembling-hybrid-materials","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/ingenieria-y-tecnologia-quimicas\/molecular-modeling-of-self-assembling-hybrid-materials\/","title":{"rendered":"Molecular modeling of self-assembling hybrid materials"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Alessandro Patti <\/strong><\/h2>\n<p>Los surfactantes son mol\u00e9culas anfif\u00edlicas, con una cabeza solvof\u00edlica y una cola solvof\u00f3bica. Cuando la concentraci\u00f3n de surfactante en soluci\u00f3n es suficientemente alta, las mol\u00e9culas se agregan entre ellas para proteger las partes solvof\u00f3bicas del contacto con el medio. Tales agregados pueden tener forma y tama\u00f1o muy diferentes, dependiendo del surfactante y de las condiciones del sistema. La auto-organizaci\u00f3n de los surfactantes (self-assembly), debida a un compromiso energ\u00e9tico y entr\u00f3pico de su estructura molecular, es la clave que permite observar cristales l\u00edquidos muy ordenados. En presencia de un precursor inorg\u00e1nico y dependiendo de las interacciones que este precursor establece con el surfactante, se puede observar la formaci\u00f3n del material h\u00edbrido. Los materiales h\u00edbridos constituyen un paso intermedio fundamental para la s\u00edntesis de los materiales mesoporosos ordenados, los cuales se obtienen eliminando la matriz org\u00e1nica (surfactante) del substrato inorg\u00e1nico. el presente estudio tiene como principal objetivo estudiar bajo cuales condiciones los sistemas formados por un surfactante, un precursor inorg\u00e1nico y un solvente, se auto-organizan para dar lugar a estructuras h\u00edbridas muy ordenadas. En particular nos proponemos individuar cuales son las caracter\u00edsticas m\u00e1s importantes que los precursores inorg\u00e1nicos deber\u00edan tener para poder observar la formaci\u00f3n de materiales mesoporosos ordenados. simulaciones monte carlo en el colectivo can\u00f3nico han sido utilizadas para analizar la agregaci\u00f3n de los surfactantes en estructuras complejas, como micelas, cilindros organizados en forma hexagonal, o laminas, a partir de configuraciones totalmente desordenadas. Con particular inter\u00e9s hemos analizado el rango de condiciones que llevan a la formaci\u00f3n de las estructuras cil\u00edndricas, y estas mismas estructuras han sido comparadas en funci\u00f3n de algunas importantes caracter\u00edsticas morfol\u00f3gicas, como el tama\u00f1o de poro, el grosor de l<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Molecular modeling of self-assembling hybrid materials<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Molecular modeling of self-assembling hybrid materials <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Alessandro Patti <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Rovira i virgili<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 19\/10\/2007<\/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>Allan Mackie<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: gordon Tiddy <\/li>\n<li>martin Lisal (vocal)<\/li>\n<li>a. Seaton nigel (vocal)<\/li>\n<li>Carlos enrique Alem\u00e1n llans\u00f3 (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Alessandro Patti Los surfactantes son mol\u00e9culas anfif\u00edlicas, con una cabeza solvof\u00edlica y una cola solvof\u00f3bica. Cuando la [&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 center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[305,1478,18759,12204,2793],"tags":[134617,134614,62706,15619,134615,134616],"class_list":["post-60940","post","type-post","status-publish","format-standard","hentry","category-ingenieria-y-tecnologia-quimicas","category-procesos-estocasticos","category-rovira-i-virgili","category-tensioactivos","category-termodinamica","tag-a-seaton-nigel","tag-alessandro-patti","tag-allan-mackie","tag-carlos-enrique-aleman-llanso","tag-gordon-tiddy","tag-martin-lisal"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/60940","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=60940"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/60940\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=60940"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=60940"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=60940"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}