Catalytic effects on decomposition of formic acid in the atmosphere – A kinetic and thermochemical investigation
Chemical Physics Letters, ISSN: 0009-2614, Vol: 806, Page: 140038
2022
- 1Citations
- 9Captures
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Article Description
Gas-phase unimolecular decomposition of formic acid via (a) decarboxylation and (b) dehydration pathways is explored using density functional theory. A significant reduction in the activation energies of the decomposition pathways is noticed with the assistance of water, organic and inorganic acids as well as sulphuric acid –water complex. Dehydration is the preferred route for catalytic pathways except for the water-assistance. Cooperative effect in the sulphuric acid - water complex is proposed to be the reason behind the lowest activation barrier of this system.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S0009261422006959; http://dx.doi.org/10.1016/j.cplett.2022.140038; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85138124428&origin=inward; https://linkinghub.elsevier.com/retrieve/pii/S0009261422006959; https://dx.doi.org/10.1016/j.cplett.2022.140038
Elsevier BV
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