A theoretical study on the catalytic role of water in methanol steam reforming on PdZn(111)

2015 ◽  
Vol 5 (5) ◽  
pp. 2935-2944 ◽  
Author(s):  
Zheng-Qing Huang ◽  
Bo Long ◽  
Chun-Ran Chang
Keyword(s):  
Steam Reforming ◽  
Theoretical Study ◽  
Methanol Steam Reforming ◽  
Catalytic Role

The catalytic role of water in the methanol steam reforming process on the PdZn(111) surface is explored theoretically.

A520 MOF-derived alumina as unique support for hydrogen production from methanol steam reforming: The critical role of support on performance

2020 ◽  
Vol 156 ◽  
pp. 1055-1064 ◽  
Author(s):  
Yasin Khani ◽  
Niloofar Kamyar ◽  
Farzad Bahadoran ◽  
Nasser Safari ◽  
Mostafa M. Amini
Keyword(s):  
Hydrogen Production ◽  
Steam Reforming ◽  
Critical Role ◽  
Methanol Steam Reforming

The role of H2O and oxidized copper species in methanol steam reforming on a Cu/CeO2/Al2O3 catalyst prepared by one-pot sol–gel method

2011 ◽  
Vol 102 (3-4) ◽  
pp. 387-394 ◽  
Author(s):  
Maria Turco ◽  
Giovanni Bagnasco ◽  
Claudia Cammarano ◽  
Luca Micoli ◽  
Maurizio Lenarda ◽  
...  
Keyword(s):  
Steam Reforming ◽  
Sol Gel ◽  
Methanol Steam Reforming ◽  
One Pot ◽  
Copper Species ◽  
Gel Method ◽  
Sol Gel Method ◽  
Al2o3 Catalyst

scholarly journals Catalytic Effect of Hydrogen Bond on Oxhydryl Dehydrogenation in Methanol Steam Reforming on Ni(111)

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1531
Author(s):  
Changming Ke ◽  
Zijing Lin
Keyword(s):  
Hydrogen Bond ◽  
Steam Reforming ◽  
Methanol Steam Reforming ◽  
Elastic Band ◽  
Charge Analysis ◽  
Band Method ◽  
Dehydrogenation Reactions ◽  
Key Steps ◽  
Bader Charge Analysis

Dehydrogenation of H3COH and H2O are key steps of methanol steam reforming on transition metal surfaces. Oxhydryl dehydrogenation reactions of HxCOH (x = 0–3) and OH on Ni (111) were investigated by DFT calculations with the OptB88-vdW functional. The transition states were searched by the climbing image nudged elastic band method and the dimer method. The activation energies for the dehydrogenation of individual HxCOH* are 68 to 91 kJ/mol, and reduced to 12–17 kJ/mol by neighboring OH*. Bader charge analysis showed the catalysis role of OH* can be attributed to the effect of hydrogen bond (H-bond) in maintaining the charge of oxhydryl H in the reaction path. The mechanism of H-bond catalysis was further demonstrated by the study of OH* and N* assisted dehydrogenation of OH*. Due to the universality of H-bond, the H-bond catalysis shown here, is of broad implication for studies of reaction kinetics.

scholarly journals Hydrogen production by methanol steam reforming on NiSn/MgO–Al2O3 catalysts: The role of MgO addition

2011 ◽  
Vol 392 (1-2) ◽  
pp. 184-191 ◽  
Author(s):  
A. Penkova ◽  
L. Bobadilla ◽  
S. Ivanova ◽  
M.I. Domínguez ◽  
F. Romero-Sarria ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Steam Reforming ◽  
Methanol Steam Reforming

The Role of the Promoters in Cu Based Catalysts for Methanol Steam Reforming

2009 ◽  
Vol 130 (1-2) ◽  
pp. 177-184 ◽  
Author(s):  
Gui-Sheng Wu ◽  
Dong-Sen Mao ◽  
Guan-Zhong Lu ◽  
Yong Cao ◽  
Kang-Nian Fan
Keyword(s):  
Steam Reforming ◽  
Methanol Steam Reforming

Investigation of the role of Nb on Pd−Zr−Zn catalyst in methanol steam reforming for hydrogen production

2019 ◽  
Vol 44 (23) ◽  
pp. 11717-11733 ◽  
Author(s):  
Fufeng Cai ◽  
Peijing Lu ◽  
Jessica Juweriah Ibrahim ◽  
Yu Fu ◽  
Jun Zhang ◽  
...  
Keyword(s):  
Hydrogen Production ◽  
Steam Reforming ◽  
Methanol Steam Reforming
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