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Parameters Governing Ruthenium Sawhorse-Based Decarboxylation of Oleic Acid
- Kenneth M. Doll, Grigor B. Bantchev, Erin L. Walter, Rex E. Murray, Michael Appell, James C. Lansing, Bryan R. Moser
- Industrial & engineering chemistry process design and development 2017 v.56 no.4 pp. 864-871
- alkenes, carbon dioxide production, catalytic activity, decarboxylation, isomerization, kinetics, models, oleic acid, process design, ruthenium
- Ruthenium-catalyzed decarboxylation of 9-cis-octadecenoic is a path to produce biobased olefins. Here, a mechanistic study of this reaction was undertaken utilizing a closed reaction system and a pressure reactor. The proposed mechanism of an isomerization followed by a decarboxylation reaction was consistent with a mathematical kinetic model. That same model was able to accurately predict CO₂ evolution. Additionally, computational chemistry was used to determine that the barrier of the oleic acid decarboxylation reaction is 249 kJ mol–¹. Using the new information, the efficacy of the decarboxylation reaction was improved to an overall catalytic efficiency of 850 total turnovers.