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Thermodynamic Analysis of Chemical and Phase Equilibria in CO2 Hydrogenation to Methanol, Dimethyl Ether, and Higher Alcohols
University of Stavanger, Stavanger, Norway.
Mälardalen University, School of Business, Society and Engineering, Future Energy Center.ORCID iD: 0000-0002-6279-4446
University of Stavanger, Stavanger, Norway.
2018 (English)In: Industrial & Engineering Chemistry Research, ISSN 0888-5885, E-ISSN 1520-5045, Vol. 57, no 11, p. 4081-4094Article in journal (Refereed) Published
Abstract [en]

CO2 hydrogenation can lead to the formation of various products, of which methanol, dimethyl ether (DME) and ethanol have received great attention. In this study, a comprehensive thermodynamic analysis of CO2 hydrogenation in binary (methanol/CO) and ternary product systems (methanol/CO with DME or ethanol) is conducted in Aspen Plus by the Gibbs free energy minimization method combined with phase equilibrium calculations. It is demonstrated that product condensation can be utilized to circumvent thermodynamic restrictions on product yield. Significant improvements in CO2 conversion can be achieved by operating at conditions favorable for product condensation, whereas the selectivity is mildly affected. The relevance of the results herein is discussed with regards to recent advances in catalysis and process design for CO2 hydrogenation. Our study highlights the importance of obtaining a thorough understanding of the thermodynamics of CO2 hydrogenation processes, which will be critical for developing potential breakthrough technology applicable at the industrial scale. 

Place, publisher, year, edition, pages
American Chemical Society , 2018. Vol. 57, no 11, p. 4081-4094
Keyword [en]
Carbon dioxide; Condensation; Ethanol; Ethers; Free energy; Fuels; Gibbs free energy; Hydrogenation; Methanol; Thermoanalysis, Breakthrough technology; CO2 hydrogenation; Gibbs free energy minimization; Higher alcohols; Industrial scale; Phase equilibrium calculation; Product systems; Thermo dynamic analysis, Phase equilibria
National Category
Chemical Engineering
Identifiers
URN: urn:nbn:se:mdh:diva-38913DOI: 10.1021/acs.iecr.7b04866ISI: 000428356100028Scopus ID: 2-s2.0-85044457002OAI: oai:DiVA.org:mdh-38913DiVA, id: diva2:1195572
Available from: 2018-04-05 Created: 2018-04-05 Last updated: 2018-04-12Bibliographically approved

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Li, Hailong

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