Catalytic dehydrochlorination of 1,2-dichloroethane to produce vinyl chloride over N-doped coconut activated carbon

Zhao, Wei; Sun, Mengxia; Zhang, Haiyang; Dong, Yanzhao; Li, Xiaoyan; Li, Wei; Zhang, Jinli

doi:10.1039/c5ra20916a

Cited by 33 publications

(34 citation statements)

References 32 publications

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“…Therefore, conversion of biomass into active carbon nanostructures has recently become an attractive approach to obtain electrocatalysts from more economical, abundant, and renewable resources. In addition, novel carbon nanomaterials from biobased resources have been recognized as promising materials in batteries and supercapacitors, the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), CO 2 capture, and other catalytic reactions . As depicted in Figure b, various types of biomass have been applied for the synthesis of ORR electrocatalysts.…”

Section: Orr Electrocatalysts From Biomassmentioning

confidence: 99%

“…Apart from these, the obtained materials have shown simultaneously great electrocatalytic activity for the evolution of hydrogen and oxygen, for application in water splitting. In addition, biomass‐derived porous carbon nanostructures recently have demonstrated potential performance in supercapacitors, batteries, CO 2 capture, oil/water separation, and other catalytic reactions . Therefore, it can be expected that new developments will happen in relation to large‐scale strategies.…”

Section: Summary and Perspectivementioning

confidence: 99%

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Advanced Biomass‐Derived Electrocatalysts for the Oxygen Reduction Reaction

et al. 2017

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Recent progress in advanced nanostructures synthesized from biomass resources for the oxygen reduction reaction (ORR) is reviewed. The ORR plays a significant role in the performance of numerous energy-conversion devices, including low-temperature hydrogen and alcohol fuel cells, microbial fuel cells, as well as metal-air batteries. The viability of such fuel cells is strongly related to the cost of the electrodes, especially the cathodic ORR electrocatalyst. Hence, inexpensive and abundant plant and animal biomass have become attractive options to obtain electrocatalysts upon conversion into active carbon. Bioresource selection and processing criteria are discussed in light of their influence on the physicochemical properties of the ORR nanostructures. The resulting electrocatalytic activity and durability are introduced and compared to those from conventional Pt/C-based electrocatalysts. These ORR catalysts are also active for oxygen or hydrogen evolution reactions.

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Section: Orr Electrocatalysts From Biomassmentioning

confidence: 99%

Section: Summary and Perspectivementioning

confidence: 99%

Advanced Biomass‐Derived Electrocatalysts for the Oxygen Reduction Reaction

et al. 2017

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“…[12] Gas-phase DCE, like many other halocarbons,h as been reported to have an extensive electron attachment chemistry. [12] Gas-phase DCE, like many other halocarbons,h as been reported to have an extensive electron attachment chemistry.…”

Section: 2-dichloroethanementioning

confidence: 99%

“…Thec hallenging issue of this hypothesis is how the dehydrochlorination process of DCE could be executed by electrochemistry.T he thermal cracking dehydrochlorination of DCE for vinyl chloride manufacture proceeds via ac hloroethyl radical intermediate,w hich is produced from the pyrolysis of 1,2-DCE itself. [12] Gas-phase DCE, like many other halocarbons,h as been reported to have an extensive electron attachment chemistry. [13] It has al arge electron capture cross section for electron capture to form an excited negative ion DCE À *, which can decompose promptly on am etal surface to produce the chloroethyl radical and chemisorbed chlorine.…”

Section: 2-dichloroethanementioning

confidence: 99%

Efficient Electrocatalysis for the Preparation of (Hetero)aryl Chlorides and Vinyl Chloride with 1,2‐Dichloroethane

et al. 2019

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Although the application of 1,2-dichloroethane (DCE) as ac hlorinating reagent in organic synthesis with the concomitant release of vinyl chloride as au seful byproduct is afantastic idea, it still presents atremendous challenge and has not yet been achieved because of the harsh dehydrochlorination conditions and the sluggish C À Hc hlorination process.Here we report ab ifunctional electrocatalysis strategy for the catalytic dehydrochlorination of DCE at the cathode simultaneously with anodic oxidative aromatic chlorination using the released HCl as the chloride source for the efficient synthesis of value-added (hetero)aryl chlorides.T he mildness and practicality of the protocol was further demonstrated by the efficient late-stage chlorination of bioactive molecules.

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“…In this work, two possible reaction pathways were taken into consideration, which were also discussed in previous work [17,18]. Figure 1 shows the illustration of two pathways, in which the catalyst (Cat) is temporarily represented by a dummy atom for clarity.…”

Section: Possible Reaction Mechanismsmentioning

confidence: 99%

Catalytic Mechanism Comparison Between 1,2-Dichloroethane-Acetylene Exchange Reaction and Acetylene Hydrochlorination Reaction for Vinyl Chloride Production: DFT Calculations and Experiments

Man

Luo

2020

Catalysts

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The catalytic mechanism and activation energies of metal chlorides RuCl 3 , AuCl 3 , and BaCl 2 for 1,2-dichloroethane (DCE)-acetylene exchange reaction were studied with a combination of density functional theory (DFT) calculations and experiments. Two reported reaction pathways were discussed and acetylene-DCE complex pathway was supported through adsorption energy analysis. The formation of the second vinyl chloride monomer (VCM) was proven to be the rate-determining step, according to energy profile analysis. Activity sequence of BaCl 2 > RuCl 3 > AuCl 3 was predicted and experimentally verified. Furthermore, reversed activity sequences of this reaction and commercialized acetylene hydrochlorination reaction were explained: the adsorption abilities of reactants are important for the former reaction, but chlorine transfer is important for the latter.When comparing with traditional acetylene hydrochlorination process, the newly reported Jiang-Zhong VCM process has outstanding advantages: (1) higher yield of main product due to reuse of byproduct DCE; (2) lower heat effect due to good balance of endothermic (DCE decomposition) and exothermic (acetylene hydrochlorination) reactions; (3) avoidance of corrosive HCl; and, (4) halved acetylene consumption and corresponding waste generated from coal-based acetylene production. The new route can be regarded as a combination of the coal and petroleum chemical industry and it opens up new possibilities for greener VCM production. However, the published results on this new route are notably limited and an instructive understanding is of great importance.Density functional theory (DFT) is becoming a very useful tool for computational material science and chemistry [8]. However, to the best of our knowledge, no DFT study has been reported for the new Jiang-Zhong VCM process, and the experimental exploration is also in the early stage. It is highly useful for guiding the rational development of novel DCE-acetylene exchange catalysts with the assistance of computational chemistry.In this work, the catalytic reaction mechanisms of RuCl 3 , AuCl 3 , and BaCl 2 for DCE-acetylene exchange reaction were studied in detail by DFT calculation. The experiments were further carried out and a high consistency between DFT calculations and experimental results was achieved. When comparing with the traditional acetylene hydrochlorination reaction, the reversed activity sequence was anticipated, which was explained by the differences in mechanisms. The work provided guidance for the deep understanding and screening methodology of catalysts for DCE-acetylene exchange reaction, which can accelerate the development of this green and highly efficient route for VCM production.

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Catalytic dehydrochlorination of 1,2-dichloroethane to produce vinyl chloride over N-doped coconut activated carbon

Abstract: Pyridinic and pyrrolic nitrogen dopants in the N-AC catalyst can adsorb EDC and increase the activity for EDC dehydrochlorination.

Cited by 33 publications

References 32 publications

Advanced Biomass‐Derived Electrocatalysts for the Oxygen Reduction Reaction

Advanced Biomass‐Derived Electrocatalysts for the Oxygen Reduction Reaction

Efficient Electrocatalysis for the Preparation of (Hetero)aryl Chlorides and Vinyl Chloride with 1,2‐Dichloroethane

Catalytic Mechanism Comparison Between 1,2-Dichloroethane-Acetylene Exchange Reaction and Acetylene Hydrochlorination Reaction for Vinyl Chloride Production: DFT Calculations and Experiments

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