N-Heterocyclic Molecules as Potential Liquid Organic Hydrogen Carriers: Reaction Routes and Dehydrogenation Efficacy | Sciact - CRIS-система Института катализа

N-Heterocyclic Molecules as Potential Liquid Organic Hydrogen Carriers: Reaction Routes and Dehydrogenation Efficacy Научная публикация

Журнал

Catalysts
ISSN: 2073-4344

Вых. Данные

Год: 2022, Том: 12, Номер: 10, Номер статьи : 1260, Страниц : 14 DOI: 10.3390/catal12101260

Ключевые слова

LOHC; hydrogen storage; N-heterocycles; Pd catalysts; dehydrogenation; acceptorless dehydrogenation; reaction pathway; density functional theory

Авторы

Stepanenko Sergey A. ¹ , Shivtsov Danil M. ¹ , Koskin Anton P. ¹ , Koskin Igor P. ² , Kukushkin Roman G. ¹ , Yeletsky Petr M. ¹ , Yakovlev Vadim A. ¹

Организации

1	Federal Research Center Boreskov Institute of Catalysis SB RAS, Lavrent’ev Av., 5, Novosibirsk 630090, Russia
2	N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS, Lavrent’ev Av., 9, Novosibirsk 630090, Russia

Информация о финансировании (1)

Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)

0239-2021-0005

This study is focused on the development of liquid organic hydrogen carriers (LOHC) based on N-heterocyclic compounds. These LOHC-substrates are attractive for their lower hydrogen extraction temperature compared to cycloalkanes, which is caused by the low enthalpy of the dehydrogenation reaction of the N-heterocyclic compounds. The low hydrogen extraction temperature, as well as the low volatility of the heterocycles, provide high purity hydrogen from the reaction. Under similar reaction conditions, the comparison of the efficacy of three promising heterocycles (1-methyl-octahydroindole (8HMI), tetradecahydrophenazine and decahydroquinoline) was carried out in the presence of palladium-containing catalysts. As a result, the advantages of using catalysts supported by alumina, and the high perspectivity of the 8MHI application as a LOHC-substrate, were shown. The dehydrogenation of 8HMI in the presence of 1 wt.% Pd/Al2O3 allowed for reaching a 100% yield in hydrogen under the conditions of the standard catalytic test (1 h, 240 °C). In order to study the high reactivity of 8HMI, thermodynamic dehydrogenation reaction profiles were computationally evaluated, which showed that 8HMI was the most energetically preferred in the field of hydrogen storage from the studied heterocyclic compounds.

Stepanenko S.A. , Shivtsov D.M. , Koskin A.P. , Koskin I.P. , Kukushkin R.G. , Yeletsky P.M. , Yakovlev V.A.
N-Heterocyclic Molecules as Potential Liquid Organic Hydrogen Carriers: Reaction Routes and Dehydrogenation Efficacy
Catalysts. 2022. V.12. N10. 1260 :1-14. DOI: 10.3390/catal12101260 WOS Scopus РИНЦ CAPlus OpenAlex

Поступила в редакцию:	22 сент. 2022 г.
Принята к публикации:	13 окт. 2022 г.
Опубликована в печати:	17 окт. 2022 г.
Опубликована online:	17 окт. 2022 г.

Web of science:	WOS:000872359500001
Scopus:	2-s2.0-85140827282
РИНЦ:	52453308
Chemical Abstracts:	2022:2754240
OpenAlex:	W4306651280

БД	Цитирований
Scopus	16
Web of science	14
РИНЦ	12
OpenAlex	16