20.500.12556/RUL-168261 Modeling of plasma-activated ammonia synthesis 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. plasma catalysis ammonia synthesis 0D chemical kinetic modeling density functional theory DFT machine learning ML reaction mechanism kemijska tehnologija kataliza amonijak strojno učenje true false true Angleški jezik Slovenski jezik Članek v reviji 2025-04-07 10:56:34 2025-04-07 10:56:35 2025-04-08 04:02:34 0000-00-00 00:00:00 2025 0 0 22 str. art. 161459 Vol. 509 1 Apr. 2025 0000-00-00 Zaloznikova Objavljeno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 66 1873-3212 10.1016/j.cej.2025.161459 231308035 1-s2.0-S1385894725022818-main.pdf 1-s2.0-S1385894725022818-main.pdf 1 50914BF955A24C515D835F3414F001E4 a1ca1f20930f68df7321b1874a149853b8373f4fd99f4b61100556538885d51a 6a821f49-138d-11f0-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=201402 https://www.sciencedirect.com/science/article/pii/S1385894725022818 1 24aaa616-138d-11f0-b232-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=201401 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0