The conversion of methanol and other O-compounds to hydrocarbons over zeolite catalysts

Chang, Clarence D.; Silvestri, A.J.

doi:10.1016/0021-9517(77)90172-5

Cited by 1,289 publications

(430 citation statements)

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“…As the concentration of methanol increases, clusters of hydrogen-bonded methanol molecules are formed in the zeolite cage [6,7]. At that stage di-methyl-ether DME can be formed [8], as confirmed by experiment [2]. It is, however, unclear whether the formation of DME is a necessary intermediate for the first C-C bond formation [9].…”

Section: Introductionmentioning

confidence: 74%

“…In particular, researchers have been interested in the details in the mechanism of the C-O bond cleavage in methanol and the formation of the first C-C bond. A number of reaction mechanisms have been proposed with supporting experimental evidence in some cases [2][3][4]. The commonly accepted mechanism involves the initial physisorption of methanol at a Brønsted acid site of the Al-substituted zeolite [5].…”

Section: Introductionmentioning

confidence: 99%

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Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations

Govind¹,

Andzelm²,

Reindel³

et al. 2002

IJMS

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Abstract:We report detailed density functional theory (DFT) calculations of important mechanisms in the methanol to gasoline (MTG) process in a zeolite catalyst. Various reaction paths and energy barriers involving C-O bond cleavage and the first C-C bond formation are investigated in detail using all-electron periodic supercell calculations and recently developed geometry optimization and transition state search algorithms. We have further investigated the formation of ethanol and have identified a different mechanism than previously reported [1], a reaction where water does not play any visible role. Contrary to recent cluster calculations, we were not able to find a stable surface ylide structure.However, a stable ylide structure built into the zeolite framework was found to be possible, albeit a very high reaction barrier.

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Section: Introductionmentioning

confidence: 74%

Section: Introductionmentioning

confidence: 99%

Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations

Govind¹,

Andzelm²,

Reindel³

et al. 2002

IJMS

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“…Methanol can be produced via syngas obtained from such renewable feedstock and transformed into hydrocarbons (MTH) over zeolite catalysts [1]. ZSM-5 zeolite catalysts, typically used for MTH conversion, have a three-dimensional (3D) pore structure with 10-membered-ring pores consisting of sinusoidal channels (0.51 nm × 0.55 nm) intersecting with straight channels (0.53 nm × 0.56 nm) [2].…”

Section: Introductionmentioning

confidence: 99%

Mechanistic Insights into the Desorption of Methanol and Dimethyl Ether Over ZSM-5 Catalysts

et al. 2017

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The desorption of methanol and dimethyl ether has been studied over fresh and hydrocarbon-occluded ZSM-5 catalysts with Si/Al ratios of 25, 36 and 135 using a temporal analysis of products reactor. The catalysts were characterized by XRD, SEM, N 2 physisorption and pyridine FT-IR. The crystal size increases with Si/Al ratio from 0.10 to 0.78 µm. The kinetic parameters were obtained using the Redhead method and a plug flow reactor model with coupled convection, adsorption and desorption steps. ZSM-5 catalysts with Si/Al ratios of 25 and 36 exhibit three adsorption sites (low, medium, and high temperature sites), while there is no difference between medium and high temperature sites at a Si/Al ratio of 135. Molecular adsorption on the low temperature site and dissociative adsorption on the medium and high temperature sites give a good match between experiment and the plug flow reactor model. The DME desorption activation energy was systematically higher than that of methanol. Adsorption stoichiometry shows that methanol and DME form clusters onto the binding sites. When non-activated re-adsorption is accounted for, a local equilibrium is reached only on the low and medium temperature binding sites. No differences were observed, other than in site densities, when extracting the kinetic parameters for fresh and activated ZSM-5 catalysts at full coverage. Graphical AbstractElectronic supplementary material The online version of this article (https://doi

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“…The possibility of converting methanol into hydrocarbons (MTH) was discovered by Mobil Oil Company in 1976, 1 and has been widely investigated since then. This zeolite-catalyzed reaction was initially considered a new route for the procurement of high quality gasoline, but further investigations revealed that it is possible to selectivity obtain almost any kind of hydrocarbon from methanol (from light olefins to gasoline or aromatics) selecting an appropriate catalyst and the correspondent optimal reaction conditions.…”

Section: Introductionmentioning

confidence: 99%

Complex relationship between SAPO framework topology, content and distribution of Si and catalytic behaviour in the MTO reaction

Pinilla-Herrero

Márquez‐Álvarez

Sastre

2017

Catal. Sci. Technol.

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Three small-pore silicoaluminophosphates containing relatively large cavities in their structure (LEV, LTA and SAV) have been hydrothermally synthesized with various silicon concentrations. The effect of the silicon content and distribution on both the physicochemical and the catalytic properties of the SAPO molecular sieves was studied. Remarkable differences in the Si incorporation were found, showing that the topological features and the structure directing agent employed in each case play an important role, controlling not just the Si location in the framework, but also the amount of Si incorporated. In all the cases, the formation of Si islands, associated to stronger acid sites, was favoured by the use of higher concentrations of the Si source in the synthesis gel. However, it has been found that framework topology can have greater influence than acidity on the catalytic behaviour of SAPO materials in the MTO transformation.

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The conversion of methanol and other O-compounds to hydrocarbons over zeolite catalysts

Cited by 1,289 publications

References 10 publications

Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations

Zeolite-Catalyzed Hydrocarbon Formation from Methanol: Density Functional Simulations

Mechanistic Insights into the Desorption of Methanol and Dimethyl Ether Over ZSM-5 Catalysts

Complex relationship between SAPO framework topology, content and distribution of Si and catalytic behaviour in the MTO reaction

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