scholarly journals Temperature-programmed Deoxygenation of Acetic Acid on Molybdenum Carbide Catalysts

10.3791/55314 ◽  
2017 ◽  
Author(s):  
Connor P. Nash ◽  
Carrie A. Farberow ◽  
Jesse E. Hensley
Keyword(s):  
Acetic Acid ◽  
Molybdenum Carbide ◽  
Temperature Programmed

scholarly journals Experimental and Computational Investigation of Acetic Acid Deoxygenation over Oxophilic Molybdenum Carbide: Surface Chemistry and Active Site Identity

ACS Catalysis ◽  
2016 ◽  
Vol 6 (2) ◽  
pp. 1181-1197 ◽  
Author(s):  
Joshua A. Schaidle ◽  
Jeffrey Blackburn ◽  
Carrie A. Farberow ◽  
Connor Nash ◽  
K. Xerxes Steirer ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Surface Chemistry ◽  
Active Site ◽  
Molybdenum Carbide ◽  
Computational Investigation

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.

scholarly journals Comparison of Two Preparation Methods on Catalytic Activity and Selectivity of Ru-Mo/HZSM5 for Methane Dehydroaromatization

2014 ◽  
Vol 2014 ◽  
pp. 1-7
Author(s):  
Lucia M. Petkovic ◽  
Daniel M. Ginosar
Keyword(s):  
Molybdenum Carbide ◽  
Molybdenum Trioxide ◽  
Catalyst Activity ◽  
Catalytic Performance ◽  
Preparation Methods ◽  
Ammonium Heptamolybdate ◽  
Temperature Programmed Oxidation ◽  
Methane Dehydroaromatization ◽  
Acidic Sites ◽  
Temperature Programmed

Catalytic performance of Mo/HZSM5 and Ru-Mo/HZSM5 catalysts prepared by vaporization-deposition of molybdenum trioxide and impregnation with ammonium heptamolybdate was analyzed in terms of catalyst activity and selectivity, nitrogen physisorption analyses, temperature-programmed oxidation of carbonaceous residues, and temperature-programmed reduction. Vaporization-deposition rendered the catalyst more selective to ethylene and coke than the catalyst prepared by impregnation. This result was assigned to lower interaction of molybdenum carbide with the zeolite acidic sites.

Application of temperature-programmed desorption to surfaces with physically adsorbed species

1968 ◽  
Vol 46 (6) ◽  
pp. 1033-1036 ◽  
Author(s):  
H. P. Schreiber ◽  
A. G. MacKinnon
Keyword(s):  
Activation Energy ◽  
Acetic Acid ◽  
Chain Length ◽  
High Stability ◽  
Temperature Programmed Desorption ◽  
Adsorbed Species ◽  
Pigment Surface ◽  
Temperature Programmed ◽  
Activation Energy Of Desorption ◽  
Very High

Temperature-programmed desorption has been applied to physisorbed aliphatic alcohols and acids on a rutile pigment surface. Reproducible desorption chromatograms for a series of alcohol adsorbates indicate that the same sites are involved in adsorbing the series and that the adsorbate orientation from the surface deviates progressively from normal as the chain length increases. The data also infer a reduction in the activation energy of desorption with increasing chain length. Acid adsorbates also generate reproducible chromatograms, those for formic and acetic acid showing characteristic peaks near 300 °C. The reason for the very high stability of these adsorbates has not yet been resolved.

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.

Supported Molybdenum Carbide Catalysts: Structure-Function Relationships for Hydrodenitrogenation

1996 ◽  
Vol 454 ◽  
Author(s):  
Gregory M. Dolce ◽  
Levi T. Thompson
Keyword(s):  
Active Sites ◽  
Molybdenum Carbide ◽  
Metal Carbides ◽  
Model Compounds ◽  
Early Transition Metal ◽  
Molybdenum Carbides ◽  
Temperature Programmed ◽  
Supported Molybdenum Carbide ◽  
Compositional Properties ◽  
Carbide Particles

ABSTRACTEarly transition metal carbides and nitrides have been shown to be active for the hydrotreatment of model compounds and petroleum crudes. In this paper we describe our investigations of the structural and compositional properties of γ-Al2O3-supported molybdenum carbides and efforts to correlate these properties with their pyridine and quinoline hydrodenitrogenation (HDN) activities. The HDN activities of the materials scaled linearly with the loading and oxygen chemisorptive uptake. Oxygen chemisorption results also suggested that the molybdenum carbide particles were highly dispersed and perhaps raft-like. Using temperature programmed desorption and infrared spectroscopy of carbon monoxide, we were able to identify two types of sites on the carbides; sites “on top” of the particle and sites at the perimeter. We have tentatively concluded that the most active sites for HDN were “on top” of the supported carbide particles.

Acetic acid hydrodeoxygenation on molybdenum carbide catalysts

2018 ◽  
Vol 8 (11) ◽  
pp. 2938-2953 ◽  
Author(s):  
Anurag Kumar ◽  
Sohan Phadke ◽  
Aditya Bhan
Keyword(s):  
Acetic Acid ◽  
Hydrogen Pressure ◽  
Molybdenum Carbide ◽  
Selective Catalyst

Kinetics and site requirements of acetic acid hydrodeoxygenation on molybdenum carbide – a stable and selective catalyst under atmospheric hydrogen pressure.

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
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