Articles with "theoretical kinetic" as a keyword



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Theoretical and Kinetic Analysis of the Esterification of Undecylenic Acid with Glycerol.

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Published in 2020 at "Lipids"

DOI: 10.1002/lipd.12239

Abstract: The synthesis of undecylenic acid partial esters can be performed at mild temperature with a classical esterification reaction catalyzed by dodecylbenzene sulfonic acid (DBSA). A semi-empirical molecular modeling on the different reaction intermediates indicates that… read more here.

Keywords: analysis esterification; theoretical kinetic; acid; undecylenic acid ... See more keywords
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An experimental, theoretical and kinetic-modeling study of the gas-phase oxidation of ammonia

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Published in 2020 at "Reaction Chemistry and Engineering"

DOI: 10.1039/c9re00429g

Abstract: A complete understanding of the mechanism of ammonia pyrolysis and oxidation in the full range of operating conditions displayed by industrial applications is one of the challenges of modern combustion kinetics. In this work, a… read more here.

Keywords: kinetic modeling; modeling study; oxidation; study gas ... See more keywords
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Atmospheric chemical loss processes of isocyanic acid (HNCO): a combined theoretical kinetic and global modelling study

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Published in 2020 at "Atmospheric Chemistry and Physics"

DOI: 10.5194/acp-20-6671-2020

Abstract: Abstract. Isocyanic acid (HNCO) is a chemical constituent suspected to be harmful to humans if ambient concentrations exceed ∼1  ppbv. HNCO is mainly emitted by combustion processes but is also inadvertently released by NOx mitigation… read more here.

Keywords: hnco; chemistry; chemical loss; study ... See more keywords