A theoretical investigation on Bell-Evans-Polanyi correlations for hydrogen abstraction reactions of large biodiesel molecules by H and OH radicals
Qinghui Meng, Xuan Lin, Yitong Zhai, Lidong Zhang, Peng Zhang, Liusi Sheng
Topics & Concepts
ChemistryHydrogen atom abstractionRadicalThermodynamicsReaction rate constantCombustionKinetic energyComputational chemistryEnthalpyHydrogenPhysical chemistryActivation energyOrganic chemistryKineticsPhysicsQuantum mechanicsBiodiesel Production and ApplicationsAdvanced Combustion Engine TechnologiesFree Radicals and Antioxidants