First-Principles Based Kinetic Simulations of Acetic Acid Temperature Programmed Reaction on Pd(111)

2001 ◽  
Vol 105 (38) ◽  
pp. 9218-9229 ◽  
Author(s):  
Eric Hansen ◽  
Matthew Neurock
Keyword(s):  
Acetic Acid ◽  
First Principles ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction

scholarly journals Decomposition of Formic Acid over Orthorhombic Molybdenum Carbide

2021 ◽  
Author(s):  
Kushagra Agrawal ◽  
Alberto Roldan ◽  
Nanda Kishore ◽  
Andrew J Logsdail
Keyword(s):  
Formic Acid ◽  
Density Functional ◽  
Molybdenum Carbide ◽  
Catalyst Surface ◽  
Energy Landscape ◽  
Functional Theory ◽  
Potential Energy Landscape ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction ◽  
Dehydrogenation Mechanism

The decomposition of formic acid is investigated on the β-Mo<sub>2</sub>C (100) catalyst surface using density functional theory. The dehydration and dehydrogenation mechanism for the decomposition is simulated, and the thermochemistry and kinetics are discussed. The potential energy landscape of the reaction shows a thermodynamically favourable cleavage of H-COOH to form CO; however, the kinetics show that the dehydrogenation mechanism is faster and CO<sub>2</sub> is continuously formed. The effect of HCOOH adsorption on the surface is also analysed, in a temperature-programmed reaction, with the decomposition proceeding at under 350 K and desorption of CO<sub>2</sub> observed.

A temperature-programmed reaction study of calcium-catalyzed carbon gasification

1992 ◽  
Vol 6 (3) ◽  
pp. 287-293 ◽  
Author(s):  
D. Cazorla-Amoros ◽  
A. Linares-Solano ◽  
C. Salinas-Martinez de Lecea ◽  
J. P. Joly
Keyword(s):  
Carbon Gasification ◽  
Reaction Study ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction

scholarly journals An alternative approach to kinetic analysis of temperature-programmed reaction data

RSC Advances ◽  
2018 ◽  
Vol 8 (6) ◽  
pp. 3286-3295 ◽  
Author(s):  
A. S. Portnyagin ◽  
A. P. Golikov ◽  
V. A. Drozd ◽  
V. A. Avramenko
Keyword(s):  
Particle Size ◽  
Kinetic Analysis ◽  
Kinetic Parameters ◽  
Isothermal Reaction ◽  
Alternative Approach ◽  
Reaction Data ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction

Presented method of kinetic analysis of non-isothermal reaction data provides precise kinetic parameters for different materials with different morphology and particle size.

scholarly journals Reactivity of Methane and Benzene over Metal/MFI Zeolite Analyzed with Temperature‐Programmed Reaction Technique

ChemCatChem ◽  
2020 ◽  
Vol 12 (8) ◽  
pp. 2333-2340 ◽  
Author(s):  
Koshiro Nakamura ◽  
Kazu Okumura ◽  
Etsushi Tsuji ◽  
Satoshi Suganuma ◽  
Naonobu Katada
Keyword(s):  
Mfi Zeolite ◽  
Temperature Programmed ◽  
Temperature Programmed Reaction
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