The non-catalytic partial oxidation of methane in a flow tube reactor using indirect induction heating – An experimental and kinetic modelling study

Kuan, Benny; Lee, Woojin; Burke, Nick; Patel, Jim

doi:10.1016/j.ces.2018.04.070

Cited by 16 publications

(8 citation statements)

References 17 publications

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“…It should be noted that certain numbers of literature contributions focusing on the use of IH deal with chemical transformations that hardly fall in the context of “catalytic” processes in a strict sense. They rather focus on highlighting the key advantages of IH over conventional heating methods coming from the targeted and rapid control of the heating rate of solid feedstock ,− or volatile , reagents on dedicated susceptors. Despite their general relevance from a chemical viewpoint, rf-heated noncatalytic transformations do not fit with the purposes of this perspective article and thus they will not be further detailed.…”

Section: Introductionmentioning

confidence: 99%

Induction Heating: An Enabling Technology for the Heat Management in Catalytic Processes

et al. 2019

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This perspective illustrates the electromagnetic induction heating technology for a rational heat control in catalytic heterogeneous processes. It mainly focuses on the remarkable advantages of this approach in terms of process intensification, energy efficiency, reactor setup simplification, and safety issues coming from the use of radio frequency heated susceptors/catalysts in fixed-bed reactors under flow operational conditions. It is a real enabling technology that allows a catalytic process to go beyond reactor bounds, reducing inefficient energy transfer issues and heat dissipation phenomena while improving reactor hydrodynamics. Hence, it allows pushing catalytic processes to the limits of their kinetics. Undoubtedly, inductive heating represents a twist in performing catalysis. Indeed, it offers unique solutions to overcome heat transfer limitations (i.e. slow heating/cooling rates, nonuniform heating environments, low energy efficiency) to those endo- and exothermic catalytic transformations that make use of conventional heating methodologies.

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Section: Introductionmentioning

confidence: 99%

Induction Heating: An Enabling Technology for the Heat Management in Catalytic Processes

et al. 2019

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“…Polycyclic aromatic hydrocarbons (PAH) commonly appear in various chemical processes and in flames, especially from incomplete combustion of species like methane, 1–4 ethene, 5–7 and benzene 8–11 . The formation of PAH is normally viewed as an undesired by‐product, since it reduces the yield of desired products, and the subsequent soot formation 12–15 has negative effects on human health, 16 climate change, 17 and process efficiency 18 .…”

Section: Introductionmentioning

confidence: 99%

Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C₁₂H₈, C₁₄H₈, and C₁₄H₁₀ species

Chu

Smith

Yang

et al. 2020

Int J of Chemical Kinetics

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The hydrogen-abstraction-C 2 H 2-addition (HACA) chemistry of naphthalenyl radicals has been studied extensively, but there is a significant discrepancy in product distributions reported or predicted in literature regarding appearance of C 14 H 8 and C 14 H 10 species. Starting from ab initio calculations, a comprehensive theoretical model describing the HACA chemistry of both 1-and 2naphthalenyl radicals is generated. Pressure-dependent kinetics are considered in the C 12 H 9 , C 14 H 9 , and C 14 H 11 potential energy surfaces including formally direct well-skipping pathways. On the C 12 H 9 PES, reaction pathways were found connecting two entry points: 1-naphthalenyl (1-C 10 H 7) + acetylene (C 2 H 2) and 2-C 10 H 7 + C 2 H 2. A significant amount of acenaphthylene is predicted to be formed from 2-C 10 H 7 + C 2 H 2 , and the appearance of C 14 H 8 isomers is predicted in the model simulation, consistent with high-temperature experimental results from Parker et al. At 1500 K, 1-C 10 H 7 + C 2 H 2 mostly generates acenaphthylene through a formally direct pathway, which predicted selectivity of 66% at 30 Torr and 56% at 300 Torr. The reaction of 2-C 10 H 7 with C 2 H 2 at 1500 K yields 2-ethynylnaphthalene as the most dominant product, followed by acenaphthylene mainly generated via isomerization of 2-C 10 H 7 to 1-C 10 H 7. Both the 1-C 10 H 7 and 2-C 10 H 7 reactions with C 2 H 2 form some C 14 H 8 products, but negligible phenanthrene and anthracene formation is predicted at 1500 K. A rate-of-production analysis reveals that C 14 H 8 formation is strongly affected by the rates of H-abstraction from acenaphthylene, 1-ethynylnaphthalene, and 2ethynylnaphthalene, so the kinetics of these reactions are accurately calculated at the high level G3(MP2,CC)//B3LYP/6-311G ** level of theory. At intermediate temperatures like 800 K, acenaphthylene + H are the leading bimolecular products of 1-C 10 H 7 + C 2 H 2 , and 1-acenaphthenyl radical is the most abundant C 12 H 9 isomer due to its stability. The predicted product distribution of 2-C 10 H 7 + C 2 H 2 at 800 K, in contrast to the results of Parker et al is predicted to consist primarily of species containing three fused benzene rings-for example, 752

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“…The latter can include charged species (anions, cations, and electrons), free radicals, stable and metastable molecules, excited states, all reacting through numerous processes. Using this type of detailed schemes has been employed for different gas discharges and different methane upgrading applications, ranging from oxidative [28][29][30][31][32][33][34][35] to non-oxidative 5,[36][37][38][39][40][41][42][43][44][45][46] and methane conversion in the presence of nitrogen. [47][48][49][50] Besides upgrading, methane plasma kinetic schemes have been employed for other purposes too, with the oldest occurrences being related to plasma-enhanced chemical vapour deposition, [51][52][53][54][55][56][57][58][59][60][61][62][63][64] and combustion and pyrolysis studies.…”

Section: Introductionmentioning

confidence: 99%

Plasma-enhanced catalysis for the upgrading of methane: a review of modelling and simulation methods

2020

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The non-catalytic partial oxidation of methane in a flow tube reactor using indirect induction heating – An experimental and kinetic modelling study

Cited by 16 publications

References 17 publications

Induction Heating: An Enabling Technology for the Heat Management in Catalytic Processes

Induction Heating: An Enabling Technology for the Heat Management in Catalytic Processes

Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C₁₂H₈, C₁₄H₈, and C₁₄H₁₀ species

Plasma-enhanced catalysis for the upgrading of methane: a review of modelling and simulation methods

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The non-catalytic partial oxidation of methane in a flow tube reactor using indirect induction heating – An experimental and kinetic modelling study

Cited by 16 publications

References 17 publications

Induction Heating: An Enabling Technology for the Heat Management in Catalytic Processes

Induction Heating: An Enabling Technology for the Heat Management in Catalytic Processes

Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C12H8, C14H8, and C14H10 species

Plasma-enhanced catalysis for the upgrading of methane: a review of modelling and simulation methods

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Theoretical study on the HACA chemistry of naphthalenyl radicals and acetylene: The formation of C₁₂H₈, C₁₄H₈, and C₁₄H₁₀ species