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| Format: | Artículo científico |
| Language: | en |
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Universidad Nacional de Colombia
2019
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| Online Access: | https://www.redalyc.org/articulo.oa?id=49660955015 https://www.redalyc.org/journal/496/49660955015/ https://www.redalyc.org/journal/496/49660955015/html/ https://www.redalyc.org/journal/496/49660955015/49660955015.epub https://www.redalyc.org/journal/496/49660955015/movil |
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Table of Contents:
- Mechanism of glycerol dehydration and dehydrogenation: an experimental and computational correlation Mauricio Velásquez Catherine Batiot-Dupeyrat Juan F. Espinal Astrid Sánchez Alexander Santamaría Ingeniería glycerol conversion glycerol dehydration biomass valorization glycerol dehydrogenation Hydroxyacetone formation mechanism Experimental formation of hydroxyacetone (HA) from glycerol over La2CuO4 catalyst under mild experimental conditions (533 K, N2 atmosphere) was correlated with molecular modeling results with the aim to propose reaction pathways. Based on these results, a novel mechanism in terms of elementary reactions is proposed for gaseous phase process. The results suggest that there are two main routes that contribute to HA formation. The main and more feasible reaction pathway corresponds to the direct 1,2-dehydration of glycerol. The second pathway involves the dehydrogenation of glycerol to produce glyceraldehyde, which is then dehydrated toward HA through the formation of a six-membered cyclic transition state during the hydrogenation step. Finally, the pyruvaldehyde formation pathway was found to be a parallel reaction to the HA formation which could be displaced by tuning the reaction conditions. HA formation as a result of pyruvaldehyde hydrogenation was also proposed, but it was found to be a less important route. 2019 artículo científico 0012-7353 https://www.redalyc.org/articulo.oa?id=49660955015 https://www.redalyc.org/journal/496/49660955015/ https://www.redalyc.org/journal/496/49660955015/html/ https://www.redalyc.org/journal/496/49660955015/49660955015.epub https://www.redalyc.org/journal/496/49660955015/movil 10.15446/dyna.v86n208.69941 en http://www.redalyc.org/revista.oa?id=496 Dyna application/pdf Universidad Nacional de Colombia Dyna (Colombia) Num.208 Vol.86