Autor(es)

Taschin, Alan R. ; Petrolini, Davi D. ; Braga, Adriano H. ; Baiotto, Alexandre ; Ferreira, Adriana Paula ; Lopez-Castillo, Alejandro ; Santos, Joao Batista O. ; Bueno, Jose M. C.

• Tipo de documento: Artigo Científico
• Fonte: ACS ENGINEERING AU; v. N/A, p. 17-pg., 2024-11-06.

Resumo

Ni/MgAl2O4 catalysts with and without K promotion were tested in steam reforming of phenol (SRP), ethanol (SRE), and butanol (SRB), to evaluate the effect of K on catalytic activity and methane formation. The catalysts were prepared by a wet impregnation method and were characterized using nitrogen adsorption, in situ XRD, H2-TPR, TEM, XPS, and XANES techniques. Catalytic evaluations were performed at temperatures ranging from 250 to 650 degrees C. DFT calculations were employed to study the hydrogenation of CH x species on Ni modified by K. The addition of K to the Ni catalysts weakened the NiO-support interaction, causing NiO agglomeration and an increase in Ni particle size. The effect of K on CH4 formation was strongly influenced by the structure of the reformed molecule, leading to the formation of different CH x species during the reaction. The introduction of K into the Ni catalyst suppressed formation of CH4 by hydrogenation of CH, with this effect diminishing for CH2 and being absent for CH3 species. DFT calculations of the interaction between CH x species absorbed in an Ni4 cluster (CH x -Ni4) and K, particularly KOH, indicated that species such as HOKH x C-Ni4 were stabilized, with decreased energies of -291.5, -242.4, and -27.7 kJ/mol for CH, CH2, and CH3, respectively. The increased heat of adsorption for CH and CH2 species reduced their hydrogenation activity toward methane. (AU)

• Processo FAPESP: 19/09219-1 - EMU concedido no processo 2018/01258-5: sistema reacional de alta pressão
• Beneficiário: José Maria Correa Bueno
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 19/06436-1 - EMU concedido no projeto 2018/01258-5: termobalança
• Beneficiário: José Maria Correa Bueno
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 18/01258-5 - Novos processos catalíticos e fotocatalíticos para a conversão direta de metano e CO2 em produtos
• Beneficiário: José Maria Correa Bueno
• Modalidade de apoio: Auxílio à Pesquisa - Temático
• Processo FAPESP: 23/18451-0 - Desenvolvimento de novo processo para oxidação direta de metano a metanol usando catalisadores de Cu- Zeolitas
• Beneficiário: Davi Domingos Petrolini
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 19/11507-5 - EMU concedido no Proc 2018/01258-5: cromatógrafo de gás
• Beneficiário: José Maria Correa Bueno
• Modalidade de apoio: Auxílio à Pesquisa - Programa Equipamentos Multiusuários
• Processo FAPESP: 19/12501-0 - Estudo teórico de sistemas bidimensionais
• Beneficiário: Alejandro López Castillo
• Modalidade de apoio: Auxílio à Pesquisa - Regular