Project investigator: Anchalee Junkaew, NANOTEC
Ni-based catalysts have been proposed as candidates for various heterogeneous catalytic reactions in refinery processes. Ni is reactive and it is cheaper than noble metal catalysts (i.e. Pd, Pt, Au and Ag). However, C-C cracking, coking and fast deactivation are the main problems in most Ni-based catalysts. In this project, a Density Functional Theory method has been used to study properties of Ni-based catalysts. Reaction mechanisms in propane dehydrogenation (PDH) and deoxygenation of fatty acid have been investigated. The theoretical insight is useful for design better Ni-based catalysts in refinery applications.
Inside front cover image of Catalysis Science & Technology 07 July 2019, Issue 13, Page 3297 to 3570. Reproduced from P. Reangchim, T. Saelee, V. Itthibenchapong, A. Junkaew, N. Chanlek, A. Eiad-ua, N. Kungwan and K. Faungnawakij, Catal. Sci. Technol., 2019, 9, 3361 with permission from The Royal Society of Chemistry.