Modeling of plasma-activated ammonia synthesis

Vodlan, Katja (avtor), Likozar, Blaž (avtor), Huš, Matej (avtor)

In addition to its main use in agriculture as the main feedstock for fertilizer production, ammonia is investigated as a prospective energy vector in several sectors. This, however, presupposes an environmentally friendly synthesis alternative to the Haber-Bosch process. Plasma-catalytic systems seem to be the perfect candidate, as they are well suited to utilize intermittent renewable energy sources and for small-scale on-site production. Despite extensive research, plasma-catalytic systems still face challenges, particularly the low energy yield, which falls short of the Haber-Bosch process. Most research used to be based on trial-and-error testing of different catalysts and reaction conditions, but recent efforts have focused on uncovering the underlying mechanisms through various computational methods. In this review, the development of 0D plasma kinetic models is highlighted, and other modeling approaches across different scales, crucial for further advances in system efficiency and catalyst design, are analyzed.

• Jezik: Angleški jezik
• Ključne besede: plasma catalysis, ammonia synthesis, 0D chemical kinetic modeling, density functional theory, DFT, machine learning, ML, reaction mechanism
• Vrsta gradiva: Članek v reviji
• Tipologija: 1.02 - Pregledni znanstveni članek
• Organizacija: FKKT - Fakulteta za kemijo in kemijsko tehnologijo
• Status publikacije: Objavljeno
• Različica publikacije: Objavljena publikacija
• Leto izida: 2025
• Št. strani: 22 str.
• Številčenje: Vol. 509, art. 161459
• PID: 20.500.12556/RUL-168261
• UDK: 66
• ISSN pri članku: 1873-3212
• DOI: 10.1016/j.cej.2025.161459
• COBISS.SI-ID: 231308035
• Datum objave v RUL: 07.04.2025

Gradivo je del revije

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

Licence

• Licenca: CC BY-NC 4.0, Creative Commons Priznanje avtorstva-Nekomercialno 4.0 Mednarodna
• Povezava: http://creativecommons.org/licenses/by-nc/4.0/deed.sl
• Opis: Licenca Creative Commons, ki prepoveduje komercialno uporabo, vendar uporabniki ne rabijo upravljati materialnih avtorskih pravic na izpeljanih delih z enako licenco.

Sekundarni jezik

• Jezik: Slovenski jezik
• Ključne besede: kemijska tehnologija, kataliza, amonijak, strojno učenje