Theoretical Study for Adsorption-Diffusion on H-MOR and Pyridine Pre-adsorbed H-MOR of Dimethyl Ether Carbonylation.

Jiabao Zhao, Weixin Qian, Hongfang Ma, Weiyong Ying, Peiqing Yuan, Haitao Zhang

Abstract read

In one paragraph

Article in ACS omega, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

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1citing papers in PubMed

–field-weighted citation impact

1 · What the graph read from it

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3 · Its place in the literature

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1 citing paper in PubMed.

Preparation of Fe-HMOR with a Preferential Iron Location in the 12-MR Channels for Dimethyl Ether Carbonylation.Materials (Basel, Switzerland) · 2024
Article

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PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

6 authors.

Jiabao ZhaoEngineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.ORCID https://orcid.org/0000-0003-0768-1454

Weixin QianEngineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.ORCID https://orcid.org/0000-0002-1049-9453

Hongfang MaEngineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.ORCID https://orcid.org/0000-0002-6752-9019

Weiyong YingEngineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.ORCID https://orcid.org/0000-0003-3523-6702

Peiqing YuanEngineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.ORCID https://orcid.org/0000-0003-0797-963X

Haitao ZhangEngineering Research Centre of Large Scale Reactor Engineering and Technology, Ministry of Education, State Key Laboratory of Chemical Engineering, East China University of Science and Technology, Shanghai 200237, People's Republic of China.ORCID https://orcid.org/0000-0002-1609-0501

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

For dimethyl ether (DME) carbonylation, pyridine pre-adsorbed hydrogen mordenite (H-MOR) is beneficial to prolonging the catalyst life. The adsorption and diffusion behaviors on periodic models H-AlMOR and H-AlMOR-Py were simulated. The simulation was based on Monte Carlo and molecular dynamics. The following conclusions were drawn from the simulation results. The adsorption stability of CO in 8-MR is increased, and the adsorption density of CO in 8-MR is more concentrated on H-AlMOR-Py. 8-MR is the main active site for DME carbonylation, so the introduction of pyridine would be beneficial for the main reaction. The adsorption distributions of methyl acetate (MA) (in 12-MR) and H

Identifiers

PMID37360492

DOI10.1021/acsomega.3c02127

PMCPMC10285922

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