{"id":102350,"date":"2010-02-07T00:00:00","date_gmt":"2010-02-07T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/transport-and-accessibility-in-zeolites-and-metal-organic-frameworks\/"},"modified":"2010-02-07T00:00:00","modified_gmt":"2010-02-07T00:00:00","slug":"transport-and-accessibility-in-zeolites-and-metal-organic-frameworks","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica-fisica\/transport-and-accessibility-in-zeolites-and-metal-organic-frameworks\/","title":{"rendered":"Transport and accessibility in zeolites and metal-organic frameworks"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Elena Garcia Perez <\/strong><\/h2>\n<p>Primero hemos llevado a cabo simulaciones moleculares en estructuras r\u00edgidas. Hemos estudiado dos tipos de materiales porosos: zeolitas y estructuras metal-org\u00e1nicas (mofs). Las zeolitas estudiadas pueden estar compuestas por a) \u00e1tomos de silicio y ox\u00edgeno (zeolitas pura s\u00edlice), b) \u00e1tomos de silicio, aluminio y ox\u00edgeno con cationes sodio y calcio (zeolitas b\u00e1sicas) o c) \u00e1tomos de silicio, aluminio y ox\u00edgeno con protones (zeolitas \u00e1cidas). En estas estructuras estudiamos procesos de adsorci\u00f3n y difusi\u00f3n de alcanos, co2 y n2. En cuanto a los mofs, se estudian las propiedades de adsorci\u00f3n de alcanos, n2 y o2 en cu-btc. Tambi\u00e9n se realiza un an\u00e1lisis de los sitios preferentes de adsorci\u00f3n de estas mol\u00e9culas adsorbidas en la estructura mencionada.   para estudiar el efecto de la cantidad de mol\u00e9culas adsorbidas sobre posibles cambios de fase usamos modelos flexibles.   todo el trabajo realizado se ha llevado a cabo usando t\u00e9cnicas de simulaci\u00f3n molecular descritas en el primer cap\u00edtulo de la tesis.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Transport and accessibility in zeolites and metal-organic frameworks<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Transport and accessibility in zeolites and metal-organic frameworks <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Elena Garcia Perez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Pablo de olavide<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 02\/07\/2010<\/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>Sofia Calero Diaz<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Jos\u00e9 bernardo Parra soto <\/li>\n<li>elisa Mar\u00eda Barea mart\u00ednez (vocal)<\/li>\n<li>Jorge Gasc\u00f3n sabat\u00e9 (vocal)<\/li>\n<li>flor Siperstein (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Elena Garcia Perez Primero hemos llevado a cabo simulaciones moleculares en estructuras r\u00edgidas. Hemos estudiado dos tipos [&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":[37286,560],"tags":[207659,156115,200583,117804,188282,129666],"class_list":["post-102350","post","type-post","status-publish","format-standard","hentry","category-pablo-de-olavide","category-quimica-fisica","tag-elena-garcia-perez","tag-elisa-maria-barea-Martinez","tag-flor-siperstein","tag-jorge-gascon-sabate","tag-jose-bernardo-parra-soto","tag-sofia-calero-diaz"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/102350","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=102350"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/102350\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=102350"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=102350"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=102350"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}