Toward rational catalyst design for partial hydrogenation of dimethyl oxalate to methyl glycolate: a descriptor-based microkinetic analysis

2019 ◽  
Vol 9 (20) ◽  
pp. 5763-5773 ◽  
Author(s):  
Wei-Qi Yan ◽  
Jun-Bo Zhang ◽  
Ling Xiao ◽  
Yi-An Zhu ◽  
Yue-Qiang Cao ◽  
...  
Keyword(s):  
Catalyst Design ◽  
Partial Hydrogenation ◽  
Dimethyl Oxalate ◽  
Catalyst Screening ◽  
Methyl Glycolate ◽  
Rational Catalyst Design

A descriptor-based microkinetic analysis has been performed to provide a basis for the catalyst screening for DMO hydrogenation to MG.

scholarly journals Towards rational catalyst design: boosting the rapid prediction of transition-metal activity by improved scaling relations

2019 ◽  
Vol 21 (35) ◽  
pp. 19269-19280 ◽  
Author(s):  
Yalan Wang ◽  
Ling Xiao ◽  
Yanying Qi ◽  
Mehdi Mahmoodinia ◽  
Xiang Feng ◽  
...  
Keyword(s):  
Transition Metal ◽  
Catalyst Activity ◽  
Catalyst Design ◽  
Scaling Relations ◽  
Microkinetic Modeling ◽  
Catalyst Screening ◽  
Rapid Prediction ◽  
Surface Energetics ◽  
Rational Catalyst Design

The improved UBI-QEP+BEP are utilized to rapidly estimate surface energetics, which satisfactorily fit the DFT (BEEF-vdW) values. These energetics are then applied in microkinetic modeling to predict catalyst activity and perform catalyst screening.

Synthesis of Methyl Glycolate by Hydrogenation of Dimethyl Oxalate over Cu-Ag/SiO2 Catalyst

2007 ◽  
Vol 16 (1) ◽  
pp. 78-80 ◽  
Author(s):  
Baowei Wang ◽  
Qian Xu ◽  
Hua Song ◽  
Genhui Xu
Keyword(s):  
Dimethyl Oxalate ◽  
Methyl Glycolate

Perspectives on the Active Sites and Catalyst Design for the Hydrogenation of Dimethyl Oxalate

ACS Catalysis ◽  
2020 ◽  
Vol 10 (8) ◽  
pp. 4465-4490 ◽  
Author(s):  
Run-Ping Ye ◽  
Ling Lin ◽  
Lu-Cun Wang ◽  
Dong Ding ◽  
Zhangfeng Zhou ◽  
...  
Keyword(s):  
Active Sites ◽  
Catalyst Design ◽  
Dimethyl Oxalate

Highly Active and Stable ZrO2 -SiO2 -Supported Cu-Catalysts for the Hydrogenation of Dimethyl Oxalate to Methyl Glycolate

2017 ◽  
Vol 2 (17) ◽  
pp. 4823-4829 ◽  
Author(s):  
Denghao Wang ◽  
ChuanCai Zhang ◽  
Mingyuan Zhu ◽  
Feng Yu ◽  
Bin Dai
Keyword(s):  
Dimethyl Oxalate ◽  
Highly Active ◽  
Cu Catalysts ◽  
Methyl Glycolate

Confinement Effects on Chemical Reactions — Toward an Integrated Rational Catalyst Design

ChemInform ◽  
2007 ◽  
Vol 38 (34) ◽  
Author(s):  
Erik E. Santiso ◽  
Milen K. Kostov ◽  
Aaron M. George ◽  
Marco Buongiorno Nardelli ◽  
Keith E. Gubbins
Keyword(s):  
Chemical Reactions ◽  
Catalyst Design ◽  
Confinement Effects ◽  
Rational Catalyst Design

ChemInform Abstract: Phosphorus Ligand Effects in Homogeneous Catalysis and Rational Catalyst Design

ChemInform ◽  
2013 ◽  
Vol 44 (26) ◽  
pp. no-no
Author(s):  
Jason A. Gillespie ◽  
Erik Zuidema ◽  
Piet W. N. M. van Leeuwen ◽  
Paul C. J. Kamer
Keyword(s):  
Homogeneous Catalysis ◽  
Catalyst Design ◽  
Ligand Effects ◽  
Rational Catalyst Design
Sign in / Sign up

Export Citation Format

Share Document