{"id":2636,"date":"2017-11-22T11:56:00","date_gmt":"2017-11-22T14:56:00","guid":{"rendered":"http:\/\/cursos.ufrrj.br\/posgraduacao\/ppgq\/?page_id=2636"},"modified":"2017-11-22T11:56:00","modified_gmt":"2017-11-22T14:56:00","slug":"ic-1357","status":"publish","type":"page","link":"https:\/\/cursos.ufrrj.br\/posgraduacao\/ppgq\/atividades-disciplinares\/ic-1357\/","title":{"rendered":"IC-1357- Cin\u00e9tica Qu\u00edmica Avan\u00e7ada"},"content":{"rendered":"

\u00a04 cr\u00e9ditos 60 horas te\u00f3ricas<\/strong><\/p>\n

 <\/p>\n

OBJETIVOS<\/strong>:<\/p>\n

Introduzir conceitos de cin\u00e9tica e din\u00e2mica qu\u00edmica.<\/p>\n

 <\/p>\n

EMENTA<\/strong>:<\/p>\n

Leis de velocidade. Mecanismos de rea\u00e7\u00e3o. Integra\u00e7\u00e3o de modelos cin\u00e9ticos complexos. Modelos de rea\u00e7\u00f5es em solu\u00e7\u00e3o, superf\u00edcies e fase gasosa. Estudo cin\u00e9tico de problemas envolvendo Qu\u00edmica de Combust\u00f5es e Qu\u00edmica Atmosf\u00e9rica.<\/p>\n

 <\/p>\n

CONTE\u00daDO PROGRAM\u00c1TICO:<\/strong><\/p>\n

Conceitos Fundamentais em Cin\u00e9tica Qu\u00edmica<\/em>
\n1.1\u00a0\u00a0 Leis de Velocidade<\/p>\n

1.2\u00a0\u00a0 Integra\u00e7\u00e3o das Leis de Velocidade<\/p>\n

1.3\u00a0\u00a0 Teoria de Colis\u00f5es<\/p>\n

1.4\u00a0\u00a0 Teoria de Estado de Transi\u00e7\u00e3o<\/p>\n

1.5\u00a0\u00a0 Teoria de Rea\u00e7\u00f5es Unimoleculares<\/p>\n

M\u00e9todos num\u00e9ricos para Solu\u00e7\u00e3o de Modelos Cin\u00e9ticos<\/em>
\n2.1\u00a0\u00a0 Mecanismos de Rea\u00e7\u00e3o: m\u00e9todos aproximados, m\u00e9todos anal\u00edticos e m\u00e9todos num\u00e9ricos.<\/p>\n

2.2\u00a0\u00a0 Revis\u00e3o de C\u00e1lculo Num\u00e9ricos: M\u00e9todos de Euler, Runge-Kutta e M\u00e9todos Semi-impl\u00edcitos.<\/p>\n

2.3\u00a0\u00a0 Modelagem Cin\u00e9tica (simula\u00e7\u00f5es num\u00e9ricas)<\/p>\n

2.4\u00a0\u00a0 An\u00e1lise de Import\u00e2ncia de Rea\u00e7\u00f5es (ROPA)<\/p>\n

2.5\u00a0\u00a0 An\u00e1lise de Sensibilidade (SENS)<\/p>\n

Rea\u00e7\u00f5es em Solu\u00e7\u00e3o<\/em>
\n3.1\u00a0\u00a0 Propriedades das Rea\u00e7\u00f5es em Solu\u00e7\u00e3o e Teoria das Velocidades de Rea\u00e7\u00e3o<\/p>\n

3.2\u00a0\u00a0 Limite de Difus\u00e3o.<\/p>\n

3.3\u00a0\u00a0 Efeito da For\u00e7a I\u00f4nica.<\/p>\n

3.4\u00a0\u00a0 Mecanismos de Rea\u00e7\u00e3o inner\/outer sphere.<\/p>\n

3.5\u00a0\u00a0 Teoria de Estado de Transi\u00e7\u00e3o para Rea\u00e7\u00f5es em Solu\u00e7\u00e3o<\/p>\n

3.6\u00a0\u00a0 Teoria de Krammer<\/p>\n

3.7\u00a0\u00a0 Rea\u00e7\u00f5es de Oxi-redu\u00e7\u00e3o<\/p>\n

Cat\u00e1lise<\/em>
\n4.1\u00a0\u00a0 Cat\u00e1lise Homog\u00eanea e Heterog\u00eanea \u2013 Avalia\u00e7\u00e3o Termodin\u00e2mica e Cin\u00e9tica.<\/p>\n

4.2\u00a0\u00a0 Rea\u00e7\u00f5es em Superf\u00edcies.<\/p>\n

4.3\u00a0\u00a0 Din\u00e2mica de Rea\u00e7\u00f5es g\u00e1s-superf\u00edcie<\/p>\n

4.4\u00a0\u00a0 Rea\u00e7\u00f5es envolvendo transfer\u00eancia de pr\u00f3tons<\/p>\n

Qu\u00edmica Atmosf\u00e9rica<\/em>
\nQu\u00edmica de Combust\u00f5es<\/em>
\nMETODOLOGIA<\/strong>:<\/p>\n

Aulas expositivas, com recursos did\u00e1ticos diversos (quadro\/giz, data show, multim\u00eddia e computadores). Os alunos ser\u00e3o avaliados com semin\u00e1rios individuais e trabalhos individuais ou em grupos. Provas individuais poder\u00e3o ser aplicadas.<\/p>\n

 <\/p>\n

BIBLIOGRAFIA<\/strong>:<\/p>\n

B\u00c1SICA<\/strong>:<\/p>\n

Steinfeld, J.I.; Francisco, J.S.; Hase, W.L. Chemical Kinetics and Dynamics. Prentice Hall, 2nd Ed., 1988.<\/p>\n

COMPLEMENTAR<\/strong>:<\/p>\n

Arnaut, L.; Formosinho, S.; Burrows, H. Chemical Kinetics. From Molecular Structure to Chemical Reactivity. Elsevier, 2007.<\/p>\n

Baer, T.; Hase, W.L. Unimolecular Reaction Dynamics: Theory and Experiments. New York: Oxford University Press, Inc., 1996<\/p>\n

PERI\u00d3DICOS CIENT\u00cdFICOS E OUTROS:<\/strong><\/p>\n

Dever\u00e3o ser consultados artigos cient\u00edficos publicados em peri\u00f3dicos como:<\/p>\n

Journal of Physical Chemistry A<\/p>\n

Journal of Chemical Physics<\/p>\n

Physical Chemistry Chemical Physics<\/p>\n

ChemPhysChem<\/p>\n

Journal of Physical Chemistry Letters<\/p>\n

Journal of Chemical Theory and Computation<\/p>\n

International Journal of Chemical Kinetics<\/p>\n

International Journal of Quantum Chemistry<\/p>\n

e outros peri\u00f3dicos de alto impacto e dedicados a divulga\u00e7\u00e3o de trabalhos cient\u00edficos relacionados ao tema da disciplina.<\/p>\n","protected":false},"excerpt":{"rendered":"

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Mecanismos … <\/i><\/a><\/p>\n","protected":false},"author":29,"featured_media":0,"parent":20,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_acf_changed":false,"_themeisle_gutenberg_block_has_review":false,"footnotes":"","_links_to":"","_links_to_target":""},"class_list":["post-2636","page","type-page","status-publish","hentry"],"yoast_head":"\nIC-1357- Cin\u00e9tica Qu\u00edmica Avan\u00e7ada - Programa de P\u00f3s-Gradua\u00e7\u00e3o em Qu\u00edmica<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/cursos.ufrrj.br\/posgraduacao\/ppgq\/atividades-disciplinares\/ic-1357\/\" \/>\n<meta property=\"og:locale\" content=\"pt_BR\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"IC-1357- Cin\u00e9tica Qu\u00edmica Avan\u00e7ada - Programa de P\u00f3s-Gradua\u00e7\u00e3o em Qu\u00edmica\" \/>\n<meta property=\"og:description\" content=\"\u00a04 cr\u00e9ditos 60 horas te\u00f3ricas   OBJETIVOS: Introduzir conceitos de cin\u00e9tica e din\u00e2mica qu\u00edmica.   EMENTA: Leis de velocidade. 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