A W1 computational study on the kinetics of initial pyrolysis of a biodiesel model: methyl propanoate

This work reports on the thermochemistry and kinetics of methyl propanoate ( MePr ) initial pyrolysis using the high ab initio multi-level composite W1 method over the temperature range 400-2000 K. Pyrolysis of MePr was simulated using ten complex bond fission reactions (R1-R10) and seven simple bon...

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Veröffentlicht in:	New journal of chemistry 2021-10, Vol.45 (41), p.19531-19541
Hauptverfasser:	Abdel-Rahman, Mohamed A, El-Nahas, Ahmed M, Simmie, John M, Abdel-Azeim, Safwat, El-Demerdash, Safinaz H, El-Meligy, Asmaa B, Mahmoud, Mohamed A. M
Format:	Artikel
Sprache:	eng
Schlagworte:	Biodiesel fuels Chemistry Chemistry, Multidisciplinary Decomposition reactions Fission High temperature Kinetics Physical Sciences Pressure dependence Pyrolysis Science & Technology Thermochemistry
Online-Zugang:	Volltext
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