Methane formation mechanism in methanol to hydrocarbon process: A periodic density functional theory study

Wen, Zhenhai; Xia, Tengfei; Liu, Minghui; Zhu, Kake; Zhu, Xuedong

doi:10.1016/j.catcom.2015.12.005

Cited by 16 publications

(7 citation statements)

References 34 publications

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“…Several routes for methane formation are proposed in the literature, i.e. methoxy groups reacting with methanol and DME [168], direct formation from methanol [80,97] or even from alkenes, arenes and coke [83,171,252]. However, the data obtained in this study do not enable the discrimination among these possible routes.…”

Section: Product Distributioncontrasting

confidence: 64%

Benzene co-reaction with methanol and dimethyl ether over zeolite and zeotype catalysts: Evidence of parallel reaction paths to toluene and diphenylmethane

Martínez-Espín

Wispelaere

Erichsen

et al. 2017

Journal of Catalysis

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Section: Product Distributioncontrasting

confidence: 64%

Benzene co-reaction with methanol and dimethyl ether over zeolite and zeotype catalysts: Evidence of parallel reaction paths to toluene and diphenylmethane

Martínez-Espín

Wispelaere

Erichsen

et al. 2017

Journal of Catalysis

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“…), which is very useful for the understanding of methanol conversion mechanism and deactivation mechanism. Wen et al indicated that methane served as the products of hydrocarbon pool cycle . Zhao et al demonstrated that methane selectivity retained close relationship with reaction temperature, pressure, space velocity, and Lewis acid sites by experimental and thermodynamical studies.…”

Section: Introductionmentioning

confidence: 99%

“…Wen et al indicated that methane served as the products of hydrocarbon pool cycle. 47 Zhao et al demonstrated that methane selectivity retained close relationship with reaction temperature, pressure, space velocity, and Lewis acid sites by experimental and thermodynamical studies. Zeolites with hydrogenation active sites exhibited a high methane selectivity.…”

Section: Introductionmentioning

confidence: 99%

Influence of Diffusion and Acid Properties on Methane and Propane Selectivity in Methanol-to-Olefins Reaction

Guo

et al. 2019

Ind. Eng. Chem. Res.

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ZSM-5 zeolites with different particle sizes and mesoporous structures were evaluated in a methanol-toolefins (MTO) reaction. The results show that the efficient diffusion leads to a low methane selectivity in the initial stage of reaction and a slight increase in methane selectivity throughout the reaction. ZSM-5 zeolites with different acid amounts were also evaluated, and the results indicate that ZSM-5 with a few acid sites exhibits a low initial methane selectivity and a slight increase with prolonged reaction time. In addition, a low initial propane selectivity was observed.[Fe]-[Al]-ZSM-5 zeolites with different Fe/Al ratios were also evaluated in MTO reaction, and a low propane selectivity was observed over ZSM-5 with a weak acid strength (high Fe/Al ratio). Those results are very useful for the understanding of methane and propane formation mechanism. Furthermore, it contributes to a further study of methanol conversion mechanism and deactivation mechanism.

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“…The further reaction between HCHO and dienes would generate higher unsaturated trienes or cylcodienes (C n+2 H 2n ), which can be readily transfomed into aromatics. 13 Typically, the reaction of 1,3-butadiene (25) with HCHO forms 1,3-cyclopentadiene ( 28), followed by methylating to methylcyclopentadiene (29) and then dehydrogenating to fulvene (30) (Figure 4g), which finally generates benzene (38) in a subsequent isomerization step. 42 (2) Hydroacylation and the aldol condensation pathway to aromatics: The pathway involving HCHO is the condensation reaction of light oxygenates.…”

Section: Cofeeding Of Hcho With Ethenementioning

confidence: 99%

Revealing Formaldehyde-Mediated Methanol-to-Aromatics Reactions over Zn-Modified Zeolites by Observing the Oxygenated and Polyunsaturated Intermediates

Xiao,

Luo,

Huang

et al. 2024

ACS Catal.

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The imperative role of formaldehyde (HCHO) intermediates in the formation of aromatics during the methanol-tohydrocarbons process has drawn extensive interest. Herein, using synchrotron radiation photoionization mass spectrometry (SR-PIMS) combined with a near-ambient pressure reactor, abundant critical intermediates including HCHO along with oxygenated species (C1− C4 carbonyl compounds, α,β-unsaturated aldehydes, and cyclopentenones) and polyunsaturated hydrocarbons (dienes, polyenes, and fulvene) were identified during the methanol-to-aromatics reaction over Zn-modified HZSM-5. HCHO derived from the direct dehydrogenation of methanol was proved to noticeably promote aromatic selectivity. With the assistance of 13 C-labeled HCHO cofeeding, a detailed HCHOmediated monocyclic and polycyclic aromatic formation network involving Prins, hydroacylation, and aldol condensation reactions of HCHO was proposed. This proposed mechanism provides profound insight into multiple roles of HCHO intermediates via oxygenate-based routes and reveals the fate of the oxygen atom in methanol conversion over zeolite catalysts.

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Methane formation mechanism in methanol to hydrocarbon process: A periodic density functional theory study

Cited by 16 publications

References 34 publications

Benzene co-reaction with methanol and dimethyl ether over zeolite and zeotype catalysts: Evidence of parallel reaction paths to toluene and diphenylmethane

Benzene co-reaction with methanol and dimethyl ether over zeolite and zeotype catalysts: Evidence of parallel reaction paths to toluene and diphenylmethane

Influence of Diffusion and Acid Properties on Methane and Propane Selectivity in Methanol-to-Olefins Reaction

Revealing Formaldehyde-Mediated Methanol-to-Aromatics Reactions over Zn-Modified Zeolites by Observing the Oxygenated and Polyunsaturated Intermediates

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