Catalytic hydrodenitrogenation, hydrodeoxygenation and hydrogenation reactions of amides, amines, and nitriles over NiMoS$_X$/Al$_2$O$_3$ catalysts : mechanisms, kinetics and transport

Žula, Matej (author), Bačar, Vid (author), Mazur, Michal (author), Likozar, Blaž (author)

The presence and possibility of removal of nitrogen from the bio-based feedstock is a major challenge for efficient use of these sources. Herein, we propose a unique micro-kinetics model which enables the fundamental competing selective mechanism elucidation using sulfided NiMo/Al$_2$O$_3$, a conventional hydrotreating catalyst. The model was built based on varying temperature and hydrogen pressure. Both, homogeneous and heterogeneous reactions are described in presence and absence of hydrogen with hexadecanamide and hexadecanamine as model compounds. We show that the process can undergo hydrodeoxygenation or hydrodenitrogenation reaction path based on the water/ammonia presence in the reaction mixture. This finding shows that the presence of nitrogen in feedstocks can be manipulated by influencing equilibria. Detailed catalyst characterization and mass transfer analysis support the study. The results represent the foundation for the understanding of catalytic and non-catalytic relationships between the reactants. It was elucidated that the influence of process parameters, including the small molecules presence, can direct of the process selectivity towards amines, dimers, and alkanes.

• Language: English
• Keywords: kinetics, hydrodenitrogenation, fatty amides, NiMoS, mechanisms of hydrodenitrogenation
• Work type: Article
• Typology: 1.01 - Original Scientific Article
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Publication status: Published
• Publication version: Version of Record
• Year: 2025
• Number of pages: 14 str.
• Numbering: Vol. 511, art. 162112
• PID: 20.500.12556/RUL-168507
• UDC: 544.3/.4
• ISSN on article: 1873-3212
• DOI: 10.1016/j.cej.2025.162112
• COBISS.SI-ID: 232478467
• Publication date in RUL: 16.04.2025

Record is a part of a journal

• Title: Chemical engineering journal
• Publisher: Elsevier
• ISSN: 1873-3212
• COBISS.SI-ID: 23123973

Licences

• License: CC BY-NC 4.0, Creative Commons Attribution-NonCommercial 4.0 International
• Link: http://creativecommons.org/licenses/by-nc/4.0/
• Description: A creative commons license that bans commercial use, but the users don’t have to license their derivative works on the same terms.

Secondary language

• Language: Slovenian
• Keywords: kataliza, katalizatorji, vodik, amonijak