On the Mechanism of Methane Conversion in the Nonсatalytic Processes of Its Thermal Pyrolysis and Steam and Carbon Dioxide Reforming

Busillo, Emmanuel; Савченко, В. И.; Arutyunov, V. S.

doi:10.1134/s0965544121110037

Cited by 8 publications

(3 citation statements)

References 16 publications

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“…At ~80% methane conversion, the acetylene concentration reaches a maximum and then decreases. In [19], we compared the methane conversion kinetics in steam and carbon dioxide reforming of methane with that in thermal pyrolysis; as we showed, in all the cases under consideration the methane conversion occurs similarly within the same time. Acetylene along with hydrogen is the major primary product.…”

Section: Kinetics Of the Attainment Of The Equilibrium Under The Cond...mentioning

confidence: 98%

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Equilibrium Composition of Products Formed by Non-catalytic Conversion of Hydrocarbons

et al. 2022

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The kinetic patterns of the attainment of the equilibrium product composition in non-catalytic processes of partial oxidation and of steam and carbon dioxide reforming of hydrocarbons in the temperature range 1400–1800 K, characteristic of these processes, were analyzed. The need for such analysis is caused by the rapidly increasing consumption of natural gas as a chemical feedstock and by growing attention to environmental problems, in particular, to a decrease in СО2 emissions or to partial CO2 utilization. The forward and reverse water gas shift reactions (WGSRs) play an important role in approach to the equilibrium product composition in these processes. Analysis has shown that the elementary reactions characteristic of forward and reverse WGSRs start to play a significant role long before the equilibrium in the system is attained. Already in the intermediate steps of the process, the distribution of the major reaction products, Н2, СО, Н2О, and СО2, almost corresponds to the equilibrium value of Kt = ([H2][CO2])/([CO][H2O]), close to the WGSR equilibrium constant Keq, and further conversion of the products occurs at Kt values close to Keq.

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Section: Kinetics Of the Attainment Of The Equilibrium Under The Cond...mentioning

confidence: 98%

“…for H, y eq + z eq = 0.5n; (18) for O, x eq + 2u eq + z eq = m, (19) and the equation for the equilibrium constant is K' eq = (u eq y eq )/(x eq z eq ).…”

Section: Thermodynamic Analysis Of the Equilibrium In The C-н-о Systemunclassified

Equilibrium Composition of Products Formed by Non-catalytic Conversion of Hydrocarbons

et al. 2022

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“…These parameters remained constant, suggesting no significant temperature dependence of the pre-exponential factor within the studied range and taken from the literature. 66,67 The partial pressures for CH 4 , CO 2 , and H 2 O were maintained at 6, 1, and 1 bar, respectively, as reported in the literature. 68 The TOF for each reaction was determined by the product of the rate constant (k(T)), the respective partial pressure (P), and a stoichiometric factor (coverage of active site) ν, reflective of the reaction mechanism and surface coverage…”

Section: The Journal Of Physical Chemistrymentioning

confidence: 99%

Single-Atom Pd Catalyst on a CeO₂ (111) Surface for Methane Oxidation: Activation Barriers and Reaction Pathways

Tomar,

Bhadoria,

Jeong

et al. 2024

J. Phys. Chem. C

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Employing density functional theory, we delved into the comprehensive pathways for methane oxidation on the Pd single atom supported with CeO 2 (111) encompassing sequential methane dehydrogenation, O 2 dissociation, and oxidation processes. The introduction of a Pd atom into CeO 2 (111) led to a reduction in the barrier for CH 4 dissociation to 0.50 eV. The methane dehydrogenation proceeded through a series of reactions: CH 4 → CH 3 → CH 2 → CH → C, with all dehydrogenation steps being exothermic except the CH 3 → CH 2 step. The O 2 dissociation reaction (O 2 → O* + O*) is thermodynamically exothermic, with a dissociation barrier of 2.12 eV over Pd@CeO 2 . Subsequently, the generation of CO 2 via the C* + O* and CO* + O* reactions is characterized by thermodynamically exothermic processes, with reaction energies of −1.20 and −1.01 eV, respectively. On the other hand, water production occurs through O* + H (an exothermic reaction) and OH* + H (an endothermic reaction) with reaction energies of −0.80 and +0.64 eV, respectively. These findings offer valuable insights into the potential pathways for single-atom catalysis involving transition metals supported on CeO 2 (111) in methane oxidation for industrial application.

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An overview of hydrogen production methods: Focus on hydrocarbon feedstock

Afanasev,

Askarova,

Alekhina

et al. 2024

International Journal of Hydrogen Energy

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On the Mechanism of Methane Conversion in the Nonсatalytic Processes of Its Thermal Pyrolysis and Steam and Carbon Dioxide Reforming

Cited by 8 publications

References 16 publications

Equilibrium Composition of Products Formed by Non-catalytic Conversion of Hydrocarbons

Equilibrium Composition of Products Formed by Non-catalytic Conversion of Hydrocarbons

Single-Atom Pd Catalyst on a CeO₂ (111) Surface for Methane Oxidation: Activation Barriers and Reaction Pathways

An overview of hydrogen production methods: Focus on hydrocarbon feedstock

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On the Mechanism of Methane Conversion in the Nonсatalytic Processes of Its Thermal Pyrolysis and Steam and Carbon Dioxide Reforming

Cited by 8 publications

References 16 publications

Equilibrium Composition of Products Formed by Non-catalytic Conversion of Hydrocarbons

Equilibrium Composition of Products Formed by Non-catalytic Conversion of Hydrocarbons

Single-Atom Pd Catalyst on a CeO2 (111) Surface for Methane Oxidation: Activation Barriers and Reaction Pathways

An overview of hydrogen production methods: Focus on hydrocarbon feedstock

Contact Info

Product

Resources

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Single-Atom Pd Catalyst on a CeO₂ (111) Surface for Methane Oxidation: Activation Barriers and Reaction Pathways