Thermodynamic and Kinetic Study on Carbon Dioxide Hydrogenation to Methanol over a Ga3Ni5(111) Surface: The Effects of Step Edge

2018 ◽  
Vol 122 (1) ◽  
pp. 315-330 ◽  
Author(s):  
Qingli Tang ◽  
Zhemin Shen ◽  
Christopher K. Russell ◽  
Maohong Fan
Keyword(s):  
Carbon Dioxide ◽  
Kinetic Study ◽  
Step Edge ◽  
Carbon Dioxide Hydrogenation

Unraveling the Role of Zinc on Bimetallic Fe5C2–ZnO Catalysts for Highly Selective Carbon Dioxide Hydrogenation to High Carbon α-Olefins

ACS Catalysis ◽  
2021 ◽  
Vol 11 (4) ◽  
pp. 2121-2133
Author(s):  
Chao Zhang ◽  
Chenxi Cao ◽  
Yulong Zhang ◽  
Xianglin Liu ◽  
Jing Xu ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
High Carbon ◽  
Carbon Dioxide Hydrogenation

scholarly journals How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: A computational study

2021 ◽  
Author(s):  
Matthew Quesne ◽  
C. Richard A. Catlow ◽  
Nora Henriette De Leeuw
Keyword(s):  
Carbon Dioxide ◽  
Transition Metal ◽  
Surface Properties ◽  
In Silico ◽  
Computational Study ◽  
Max Phase ◽  
Early Transition Metal ◽  
Silicon Carbides ◽  
Carbon Dioxide Hydrogenation ◽  
Early Transition

We present several in silico insights into the MAX-phase of early transition metal silicon carbides and explore how these affect carbon dioxide hydrogenation. Periodic desity functional methodology is applied to...

scholarly journals Prediction of Methanol Production in a Carbon Dioxide Hydrogenation Plant Using Neural Networks

Energies ◽  
2021 ◽  
Vol 14 (13) ◽  
pp. 3965
Author(s):  
Daniel Chuquin-Vasco ◽  
Francis Parra ◽  
Nelson Chuquin-Vasco ◽  
Juan Chuquin-Vasco ◽  
Vanesa Lo-Iacono-Ferreira
Keyword(s):  
Carbon Dioxide ◽  
Simulation Software ◽  
P Value ◽  
Methanol Production ◽  
Marquardt Algorithm ◽  
Carbon Dioxide Hydrogenation ◽  
Global Regression ◽  
Hidden Layer ◽  
Global Mean ◽  
Reactor Pressure

The objective of this research was to design a neural network (ANN) to predict the methanol flux at the outlet of a carbon dioxide dehydrogenation plant. For the development of the ANN, a database was generated, in the open-source simulation software “DWSIM”, from the validation of a process described in the literature. The sample consists of 133 data pairs with four inputs: reactor pressure and temperature, mass flow of carbon dioxide and hydrogen, and one output: flow of methanol. The ANN was designed using 12 neurons in the hidden layer and it was trained with the Levenberg–Marquardt algorithm. In the training, validation and testing phase, a global mean square (RMSE) value of 0.0085 and a global regression coefficient R of 0.9442 were obtained. The network was validated through an analysis of variance (ANOVA), where the p-value for all cases was greater than 0.05, which indicates that there are no significant differences between the observations and those predicted by the ANN. Therefore, the designed ANN can be used to predict the methanol flow at the exit of a dehydrogenation plant and later for the optimization of the system.

Carbon dioxide reduction on Ir(111): stable hydrocarbon surface species at near-ambient pressure

2016 ◽  
Vol 18 (9) ◽  
pp. 6763-6772 ◽  
Author(s):  
Manuel Corva ◽  
Zhijing Feng ◽  
Carlo Dri ◽  
Federico Salvador ◽  
Paolo Bertoch ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Ambient Pressure ◽  
Carbon Dioxide Reduction ◽  
Hydrogenation Reaction ◽  
Surface Species ◽  
Carbon Dioxide Hydrogenation

Stable hydrocarbon surface species in the carbon dioxide hydrogenation reaction were identified on Ir(111) under near-ambient pressure conditions.

scholarly journals Cover Feature: Remarkable Carbon Dioxide Hydrogenation to Ethanol on a Palladium/Iron Oxide Single-Atom Catalyst (ChemCatChem 11/2018)

ChemCatChem ◽  
2018 ◽  
Vol 10 (11) ◽  
pp. 2324-2324
Author(s):  
Francisco J. Caparrós ◽  
Lluís Soler ◽  
Marta D. Rossell ◽  
Inmaculada Angurell ◽  
Laurent Piccolo ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Iron Oxide ◽  
Single Atom ◽  
Carbon Dioxide Hydrogenation

Influence of sugars in preparing improved FeAl catalyst for carbon dioxide hydrogenation

2020 ◽  
Vol 132 (1) ◽  
Author(s):  
Wensheng Ning ◽  
Bei Li ◽  
Hui Dai ◽  
Shiye Hu ◽  
Xiazhen Yang ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Carbon Dioxide Hydrogenation

Kinetic Study of the Insertion and Deinsertion of Carbon Dioxide intofac-(CO)3(dppe)MnOR Derivatives

2003 ◽  
Vol 22 (26) ◽  
pp. 5585-5588 ◽  
Author(s):  
Donald J. Darensbourg ◽  
Way-Zen Lee ◽  
Andrea L. Phelps ◽  
Erin Guidry
Keyword(s):  
Carbon Dioxide ◽  
Kinetic Study

Kinetics of Methanol Synthesis from Carbon Dioxide Hydrogenation over Copper–Zinc Oxide Catalysts

2017 ◽  
Vol 56 (45) ◽  
pp. 13133-13145 ◽  
Author(s):  
Jean-François Portha ◽  
Ksenia Parkhomenko ◽  
Kilian Kobl ◽  
Anne-Cécile Roger ◽  
Sofiane Arab ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Zinc Oxide ◽  
Methanol Synthesis ◽  
Oxide Catalysts ◽  
Carbon Dioxide Hydrogenation ◽  
Copper Zinc ◽  
Copper Zinc Oxide ◽  
Kinetics Of
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