Microkinetic modeling of DME synthesis from methanol over H-zeolite catalyst: Associative vs. dissociative pathways

Park, Jong-Min; Cho, Jiyeong; Park, Myung-June; Lee, Won Bo

doi:10.1016/j.cattod.2020.02.011

Cited by 18 publications

(9 citation statements)

References 56 publications

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“…Although formal kinetic models have been widely used, their limitations in describing important changes on the catalyst during the time on stream have motivated a microkinetic modeling approach [119,163]. Some theoretical microkinetic studies have been published for the methanol dehydration to DME [163][164][165][166] but to the best of our knowledge none for the direct DME synthesis, yet. Recent approaches such as the use of artificial neural networks (ANNs) have been applied, due to their flexibility and robustness [167][168][169][170][171].…”

Section: Process Modeling Dmementioning

confidence: 99%

Recent Progress in Direct DME Synthesis and Potential of Bifunctional Catalysts

Banivaheb

Pitter

Delgado

et al. 2022

Chemie Ingenieur Technik

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Dedicated to Prof. Dr. Thomas Hirth on the occasion of his 60th birthday PtX technologies are one major building block of the future energy system based on renewables sources. Dimethyl ether (DME) is an important PtX product that can be used as intermediate the production of CO 2 -neutral base chemicals. New applications lead to an increase of the global production and the optimization of the process efficiency, especially when considering decentralized synthesis. This review article puts some spotlights on recent developments in methanol and the direct DME synthesis with a special focus on the modeling and bifunctional catalyst. This study is expected to provide a foundation for future works in the field of catalysis research based on catalysts design and kinetic modeling.

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Section: Process Modeling Dmementioning

confidence: 99%

Recent Progress in Direct DME Synthesis and Potential of Bifunctional Catalysts

Banivaheb

Pitter

Delgado

et al. 2022

Chemie Ingenieur Technik

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“…2 below. The microkinetic modeling for bifunctional catalysts can provide a variety of information about CZA/FER system and can compare those with the previous results of CZA [33] and FER [34] each. In this study, a microkinetic model for the CZA/FER hybrid bifunctional catalytic system is developed to investigate how the disputed HCOO** and COOH* intermediates in the CZA system affect the reaction patterns, how the CO 2 conversion differs depending on the hydrogen ratio in the feed and which elementary-step reactions are influenced by it, and how the competition between the associative and dissociative paths in the FER system changes.…”

Section: Introductionmentioning

confidence: 97%

Microkinetic study of syngas conversion to dimethyl ether over a bifunctional catalyst: CZA/FER

Cho,

Park,

Jung

et al. 2023

Korean J. Chem. Eng.

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“…A recent combined kinetic data 24 and density functional theory (DFT) study 25 indicates that the associative mechanism dominates 26,27 except at low methanol pressures. 28,29 Recently, it has been shown [30][31][32] that methyl esters (Fig. 1) can act as potent promoters for the low-temperature (110-150 1C) dehydration of methanol to DME.…”

Section: Introductionmentioning

confidence: 99%

“…A recent combined kinetic data 24 and density functional theory (DFT) study 25 indicates that the associative mechanism dominates 26,27 except at low methanol pressures. 28,29…”

Section: Introductionmentioning

confidence: 99%