Methanol reactions on bimetallic Ru(0001)-based surfaces under UHV conditions

2013 ◽  
Vol 15 (5) ◽  
pp. 1460-1470 ◽  
Author(s):  
Pawel Gazdzicki ◽  
Peter Jakob
Keyword(s):  

2004 ◽  
Vol 108 (38) ◽  
pp. 14643-14651 ◽  
Author(s):  
Ally S. Y. Chan ◽  
Wenhua Chen ◽  
Hao Wang ◽  
John E. Rowe ◽  
Theodore E. Madey


1979 ◽  
Vol 32 (3) ◽  
pp. 465 ◽  
Author(s):  
JR Khurma ◽  
DV Fenby

Thermodynamic properties of the reactions CH3OH+HDO → CH3D+H2O CH3OH+D2O → CH3OD+HDO in the gas phase are calculated from statistical mechanical equations. Two sets of calculated harmonic frequencies are used: one obtained from an experimental force field and the other from an ab initio force field. Thermodynamic properties of the corresponding liquid-phase reactions are obtained by combining the gas-phase values with vapour-pressure isotope effect results. The calculated properties are compared with published experimental values.



2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Zhenhua Zhang ◽  
Xuanye Chen ◽  
Jincan Kang ◽  
Zongyou Yu ◽  
Jie Tian ◽  
...  

AbstractCu–ZnO–Al2O3 catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the ZnO–Cu catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of CuCu(100)-hydroxylated ZnO ensemble and CuCu(611)Zn alloy, respectively. These results provide insights into the active sites of Cu–ZnO catalysts for the WGS and CO hydrogenation reactions and reveal the Cu structural effects, and offer the feasible guideline for optimizing the structures of Cu–ZnO–Al2O3 catalysts.



1995 ◽  
Vol 124 (2) ◽  
pp. 345-354 ◽  
Author(s):  
Erik Unneberg ◽  
Stein Kolboe
Keyword(s):  


2016 ◽  
Vol 94 (6) ◽  
pp. 24-24
Keyword(s):  


1986 ◽  
Vol 37 (2-3) ◽  
pp. 369-375 ◽  
Author(s):  
B. Denise ◽  
R.P.A. Sneeden
Keyword(s):  


2021 ◽  
Author(s):  
Zhenhua Zhang ◽  
Xuanye Chen ◽  
Jincan Kang ◽  
Zongyou Yu ◽  
Jie Tian ◽  
...  

Abstract Cu-ZnO-Al2O3 catalysts are used as the industrial catalysts for water gas shift (WGS) and CO hydrogenation to methanol reactions. Herein, via a comprehensive experimental and theoretical calculation study of a series of ZnO/Cu nanocrystals inverse catalysts with well-defined Cu structures, we report that the Cu-ZnO catalysts undergo Cu structure-dependent and reaction-sensitive in situ restructuring during WGS and CO hydrogenation reactions under typical reaction conditions, forming the active sites of CuCu(100)-hydroxylated ZnO ensemble and CuCu(611)Zn alloy, respectively. These results conclude the long-existing debates and provide the feasible guideline for optimizing the structures of Cu-ZnO-Al2O3 catalysts.



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