Innovative microkinetic modelling-supported structure–activity analysis of Ni/ZSM-5 during vapor-phase hydrogenation of levulinic acid

Vu, Hue-Tong (avtor), Lavrič, Žan (avtor), Kostyniuk, Andrii (avtor), Dražić, Goran (avtor), Grilc, Miha (avtor), Likozar, Blaž (avtor), Zabukovec Logar, Nataša (avtor), Djinović, Petar (avtor), Novak Tušar, Nataša (avtor)

The study examines Ni/ZSM-5 catalysts in vapor phase hydrogenation of levulinic acid (LA) under continuous flow conditions (ambient pressure, 210–250 °C). Advanced characterization revealed the interplay between Al and Ni. This was further reinforced by new approach of microkinetic modeling, which demonstrates a pioneering work on mathematical description of pulse H2 sorption, TPD kinetics, DRIFT-supported determination of sorption energy barriers and (de)sorption kinetics. The Ni/ZSM-5 (3.7 wt.% Ni, Si/Al = 28) emerged as the optimal choice for obtaining γ-valerolactone (GVL) as the desired product. Al-rich catalysts with high acid site amounts and low metallic Ni active site concentrations favored esterification, reducing hydrogenation activity, and impeding further hydrogenation of GVL to pentanoic/valeric acid (PA). To enhance PA formation, Ni/ZSM-5 (4 wt.% Ni, Si/Al = 750) with a high Si/Al ratio, was identified as crucial. The combination of described experiments and modelling is demonstrated beneficial for insightful investigation of the structure–activity relationship of Ni/ZSM5 or any other mono/bi-functional catalysts.

• Jezik: Angleški jezik
• Ključne besede: property–activity relationship, Ni/ZSM-5, levulinic acid vapor-phase hydrogenation, microkinetic modeling, product distribution
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.01 - Izvirni znanstveni članek
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2024
• Št. strani: 14 str.
• Številčenje: Vol. 495, art. 153456
• PID: 20.500.12556/RUL-159799
• UDK: 544.3/.4
• ISSN pri članku: 1873-3212
• DOI: 10.1016/j.cej.2024.153456
• COBISS.SI-ID: 202339587
• Datum objave v RUL: 25.07.2024

Gradivo je del revije

• Naslov: Chemical engineering journal
• Založnik: Elsevier
• ISSN: 1873-3212
• COBISS.SI-ID: 23123973

Licence

• Licenca: CC BY 4.0, Creative Commons Priznanje avtorstva 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by/4.0/deed.sl
• Opis: To je standardna licenca Creative Commons, ki daje uporabnikom največ možnosti za nadaljnjo uporabo dela, pri čemer morajo navesti avtorja.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: kataliza, katalizatorji, mikrokinetično modeliranje, levulinska kislina