Himanshu Raghav, L. Konathala, N. Mishra, Bhanu Joshi, R. Goyal, Ankit Agrawal, Bipul Sarkar
{"title":"Direct Conversion of CO 2 into Ethylene Over Fe-Decorated Hierarchical Molybdenum Carbide: Tailoring Activity and Stability","authors":"Himanshu Raghav, L. Konathala, N. Mishra, Bhanu Joshi, R. Goyal, Ankit Agrawal, Bipul Sarkar","doi":"10.2139/ssrn.3765613","DOIUrl":null,"url":null,"abstract":"In the past few years, the production olefin from various resources, particularly from carbon-rich sources, such as crude oil, natural gas, coal, and biomass, has received considerable attention. This study presented the production of light olefins by conducting CO2 hydrogenation through reverse water-gas shift and modified Fischer–Tropsch synthesis by employing a Fe-decorated large surface molybdenum carbide catalyst. A novel strategy was adopted for the synthesis of large surface mesoporous molybdenum carbide by using a hard template. A theoretical loading limit of Fe nanoparticles, calculated using density functional theory, was decorated over β-Mo2C through simple wetness impregnation. The trans isomers of Fe-doped β-Mo2C exhibited higher symmetry and were energetically slightly more stable for the hydrogenation of CO2 into light olefins than the cis isomers. Under the optimized condition, Fe(0.5)-Mo2C showed 7.3% CO2 conversion with 79.4% C2= olefins.","PeriodicalId":9858,"journal":{"name":"Chemical Engineering (Engineering) eJournal","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2021-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Engineering (Engineering) eJournal","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.2139/ssrn.3765613","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
In the past few years, the production olefin from various resources, particularly from carbon-rich sources, such as crude oil, natural gas, coal, and biomass, has received considerable attention. This study presented the production of light olefins by conducting CO2 hydrogenation through reverse water-gas shift and modified Fischer–Tropsch synthesis by employing a Fe-decorated large surface molybdenum carbide catalyst. A novel strategy was adopted for the synthesis of large surface mesoporous molybdenum carbide by using a hard template. A theoretical loading limit of Fe nanoparticles, calculated using density functional theory, was decorated over β-Mo2C through simple wetness impregnation. The trans isomers of Fe-doped β-Mo2C exhibited higher symmetry and were energetically slightly more stable for the hydrogenation of CO2 into light olefins than the cis isomers. Under the optimized condition, Fe(0.5)-Mo2C showed 7.3% CO2 conversion with 79.4% C2= olefins.