Vinyl chloride synthesis on zeolite catalysts: The role of strong lewis acid-base pair sites

Uvarova, E.B.; Кustov, Leonid М.; Lishchiner, I. I.; Малова, О. В.; Kazansky, V.B.

doi:10.1016/s0167-2991(97)80763-x

Cited by 9 publications

(11 citation statements)

References 3 publications

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“…158 More recently, Zhang et al reported a more effective N-doped coconut activated carbon (N-AC) catalyst with a VCM yield above 80% at 523 K. 159 Different zeolites have also been studied. An initial total conversion of EDC with a VCM yield of 92% was achieved over ZnO/HZSM-5 at 670 K. 160 A full VCM selectivity was attained with a hydrogen-assisted dehydrochlorination route over Ni-modified BEA zeolites. 161 All the above zeolite-based catalytic systems show comparable or even superior conversion rates than the pyrolysis process.…”

Section: Ethylene Oxychlorination For Vcm Productionmentioning

confidence: 94%

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Halogen-Mediated Conversion of Hydrocarbons to Commodities

2017

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Halogen chemistry plays a central role in the industrial manufacture of various important chemicals, pharmaceuticals, and polymers. It involves the reaction of halogens or halides with hydrocarbons, leading to intermediate compounds which are readily converted to valuable commodities. These transformations, predominantly mediated by heterogeneous catalysts, have long been successfully applied in the production of polymers. Recent discoveries of abundant conventional and unconventional natural gas reserves have revitalized strong interest in these processes as the most cost-effective gas-to-liquid technologies. This review provides an in-depth analysis of the fundamental understanding and applied relevance of halogen chemistry in polymer industries (polyvinyl chloride, polyurethanes, and polycarbonates) and in the activation of light hydrocarbons. The reactions of particular interest include halogenation and oxyhalogenation of alkanes and alkenes, dehydrogenation of alkanes, conversion of alkyl halides, and oxidation of hydrogen halides, with emphasis on the catalyst, reactor, and process design. Perspectives on the challenges and directions for future development in this exciting field are provided.

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Section: Ethylene Oxychlorination For Vcm Productionmentioning

confidence: 94%

“…Different zeolites have also been studied. An initial total conversion of EDC with a VCM yield of 92% was achieved over ZnO/HZSM-5 at 670 K . A full VCM selectivity was attained with a hydrogen-assisted dehydrochlorination route over Ni-modified BEA zeolites .…”

Section: Halogen Chemistry In Polymer Manufacturementioning

confidence: 97%

Halogen-Mediated Conversion of Hydrocarbons to Commodities

2017

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“…Consequently, two Brønsted acid sites are unlikely to be in the same neighborhood. Many experimental studies have been focused on the understanding of what is the actual active site in this type of catalyst. ,− …”

Section: Introductionmentioning

confidence: 99%

Influence of Zeolite Framework Geometry Structure on the Stability of the [ZnOZn]²⁺ Cluster by Periodical Density Functional Theory

Barbosa

Santen

2003

J. Phys. Chem. B

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The location of the [ZnOZn]2+ cluster in zeolites has been studied by the periodical density functional method for a chosen composition of two Si atoms substituted by two Al atoms in the same D6R unit cell of the chabazite framework. This leads to different arrangements for Al pair in two ring configurations: six- and eight-membered. The cationic cluster is most stabilized when placed in the eight-membered ring. There are two factors playing a major role in the stabilization of this site: the accommodation of framework stress and the electrostatic interaction provided by the oxygen atoms of the framework. In the case of the six-membered ring, the stability is markedly influenced by the electrostatic interaction due to the close proximity of the Zn cations to the ring plane. On the other hand, both factors are important for the stability of the [ZnOZn]2+ site in eight-membered rings. However, accommodation of the framework stress seems to be the main factor for the different stabilization results within the eight-membered family.

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“…During the past years, many experimental studies have focused on understanding the reaction mechanism of the dehydrogenation reaction, 1,4,[7][8][9][10][11] as well as of the Zn-related active site in high-silica content catalysts. 8,[13][14][15][16][17] Some of the studies concluded that the dehydrogenation ability of the Zn cation is important in the catalytic conversion of alkanes. 1,3,[7][8][9] The role of the Zn cation has been also proposed to enhance the recombination of hydrogen atoms and desorption of H 2 , which is the rate limiting-step of the process.…”

Section: Introductionmentioning

confidence: 99%

“…During the past years, many experimental studies have focused on understanding the reaction mechanism of the dehydrogenation reaction, ,,− as well as of the Zn-related active site in high-silica content catalysts. ,− …”

Section: Introductionmentioning

confidence: 99%

Study of the Activation of C−H and H−H Chemical Bonds by the [ZnOZn]²⁺ Oxycation: Influence of the Zeolite Framework Geometry

Barbosa

Santen

2003

J. Phys. Chem. B

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The reactivity of the [ZnOZn]2+ oxycation, located inside the zeolite micropores, has been studied by the periodical density functional method. Two different types of rings, six- and eight-membered, have been used as hosts for this cation. In addition, within each of these ring structures the arrangement of the two aluminum atoms has been explored, generating different configurations. Two different probe molecules have been used in this investigation: methane and molecular hydrogen. Both molecules prefer to chemisorb on this active site. Their dissociation reactions are strongly influenced by the surrounding zeolite environment and by the Al distribution within the zeolite ring framework. The [ZnOZn]2+ cation is able to activate both C−H and H−H bonds, particularly the latter one. These results are in line with previous calculations and recent experimental results. They also confirm that this active site is present in high-silica zeolites. However, this species seems unlikely to be the catalytic site for the alkane dehydrogenation.

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Vinyl chloride synthesis on zeolite catalysts: The role of strong lewis acid-base pair sites

Cited by 9 publications

References 3 publications

Halogen-Mediated Conversion of Hydrocarbons to Commodities

Halogen-Mediated Conversion of Hydrocarbons to Commodities

Influence of Zeolite Framework Geometry Structure on the Stability of the [ZnOZn]²⁺ Cluster by Periodical Density Functional Theory

Study of the Activation of C−H and H−H Chemical Bonds by the [ZnOZn]²⁺ Oxycation: Influence of the Zeolite Framework Geometry

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Vinyl chloride synthesis on zeolite catalysts: The role of strong lewis acid-base pair sites

Cited by 9 publications

References 3 publications

Halogen-Mediated Conversion of Hydrocarbons to Commodities

Halogen-Mediated Conversion of Hydrocarbons to Commodities

Influence of Zeolite Framework Geometry Structure on the Stability of the [ZnOZn]2+ Cluster by Periodical Density Functional Theory

Study of the Activation of C−H and H−H Chemical Bonds by the [ZnOZn]2+ Oxycation: Influence of the Zeolite Framework Geometry

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Product

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Influence of Zeolite Framework Geometry Structure on the Stability of the [ZnOZn]²⁺ Cluster by Periodical Density Functional Theory

Study of the Activation of C−H and H−H Chemical Bonds by the [ZnOZn]²⁺ Oxycation: Influence of the Zeolite Framework Geometry