4-Scale Model for Macromolecule Conversion over Mesoporous and Hierarchical Alumina Catalysts | Sciact - CRIS-система Института катализа

4-Scale Model for Macromolecule Conversion over Mesoporous and Hierarchical Alumina Catalysts Научная публикация

Журнал

Chemical Engineering Journal
ISSN: 1385-8947 , E-ISSN: 1873-3212

Вых. Данные

Год: 2021, Том: 405, Номер статьи : 126551, Страниц : 14 DOI: 10.1016/j.cej.2020.126551

Ключевые слова

Deactivation modeling; Hierarchical catalyst; Macromolecule conversion; Texture

Авторы

Parkhomchuk E.V. ^1,2 , Bazaikin Y.V. ^2,3,4 , Malkovich E.G. ^2,3 , Lysikov A.I. ^1,2 , Vorobieva E.E. ^1,2 , Fedotov K.V. ⁵ , Kleymenov A.V. ⁵

Организации

1	Boreskov Institute of Catalysis SB RAS, Novosibirsk, Russia
2	Novosibirsk State University, Novosibirsk, Russia
3	Sobolev Institute of Mathematics SB RAS, Novosibirsk, Russia
4	Faculty of Science, University of Hradec Kralove, Rokitanskeho 62, Hradec Kralove 50003, Czech Republic
5	Gazprom Neft, St. Petersburg 190000, Russia

Информация о финансировании (3)

1	Федеральное агентство научных организаций России	0303-2016-0010
2	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	075-15-2019-1613
3	University of Hradec Králové

Mathematical model for macromolecule catalytic conversion in a flow reactor includes four interconnected numerical calculations of different scales for the following phenomena: effect of increasing the concentration of coke grains and their size (nanometers, scale of coke particles) on porosity, tortuosity, and specific area of the catalyst computing percolation graphs of the mesoporous and hierarchically porous catalysts (dozens of nanometers, scale of percolation graph); kinetic patterns for asphaltene conversion and catalyst deactivation in the mesoporous and hierarchically porous pellets (millimeters, catalyst pellet scale); macrokinetic model for reactor operation filled with mesoporous and hierarchically porous pellets (centimeters, reactor scale). Mathematical instruments involves both discrete (Lubachevsky-Stillinger, Dijkstra algorithm) and continuous (Fick's law, kinetic equations) methods. Rate constants for kinetic modeling of the reactor operation were extracted by approximating the experimental points for the conversion of asphaltenes at the conditions close to industrial ones by numerically obtained curves. Striking difference in the texture evolution of mesoporous and hierarchical catalysts, observed by both catalytic experiments and theory, during asphaltene conversion (HDAs) resulted in fast deactivation of the first catalyst while the second one showed a long-term stability. The model is an excellent tool for the targeted design of high-performance hierarchical catalysts and catalytic layers and gives new possibilities in selection of the catalyst preparation ways. © 2020 Elsevier B.V.

Parkhomchuk E.V. , Bazaikin Y.V. , Malkovich E.G. , Lysikov A.I. , Vorobieva E.E. , Fedotov K.V. , Kleymenov A.V.
4-Scale Model for Macromolecule Conversion over Mesoporous and Hierarchical Alumina Catalysts
Chemical Engineering Journal. 2021. V.405. 126551 :1-14. DOI: 10.1016/j.cej.2020.126551 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	9 июн. 2020 г.
Принята к публикации:	4 авг. 2020 г.
Опубликована online:	15 авг. 2020 г.
Опубликована в печати:	1 февр. 2021 г.

Web of science:	WOS:000623320500005
Scopus:	2-s2.0-85089581223
РИНЦ:	45365315
Chemical Abstracts:	2020:1667234
OpenAlex:	W3049487247

БД	Цитирований
Scopus	8
Web of science	7
РИНЦ	6
OpenAlex	9