Propylene glycol oxidation over silver catalysts: A theoretical study

Propylene glycol oxidation over silver catalysts: A theoretical study

Detalhes bibliográficos
Parent link:Journal of Molecular Catalysis A: Chemical
Vol. 417.— 2016.— [P. 36-42]
Autor principal: Salaev M. A.
Autor Corporativo: Национальный исследовательский Томский политехнический университет Юргинский технологический институт (филиал) Кафедра естественного научного образования
Outros Autores: Poleshchuk O. Kh. Oleg Khemovich, Vodyankina O. V. Olga Vladimirovna
Resumo:Title screen
A theoretical interpretation of the mechanism of gas phase propylene glycol oxidation to methylglyoxal over silver catalysts is considered. A model system represented four-atom silver cluster interacting with process adsorbates and/or intermediates has been proposed. Main process routes comprising partial oxidation of the said diol to aldehydes (methylglyoxal, lactaldehyde, acetaldehyde, etc.) as well as diol total oxidation are considered, and the corresponding reaction profiles are represented. The main structural and energetic parameters for the key reaction adsorbates and intermediates and thermochemical data for their main transformations are predicted. The results obtained can be used in further modeling of both vapor- and liquid phase oxidation of propylene glycol over silver catalysts.
Режим доступа: по договору с организацией-держателем ресурса
Idioma:inglês
Publicado em: 2016
Assuntos:
электронный ресурс
труды учёных ТПУ
серебро
пропиленгликоль
серебряные катализаторы
окисление
Acesso em linha:http://dx.doi.org/10.1016/j.molcata.2016.03.011
Formato: Recurso Electrónico Capítulo de Livro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=647660

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