Zhou, Yi published the artcileChemical kinetic modeling study of methyl esters oxidation: Improvement on the prediction of early CO2 formation, Related Products of esters-buliding-blocks, the main research area is kinetics model biodiesel methyl ester oxidation carbon dioxide.
The early CO2 formation is a characteristic for the Me esters group of biodiesel. A new reaction pathway was added to skeletal Me esters mechanism for improving the prediction of early CO2 formation. The Me decanoate, Me 9-decenoate, Me 5-decenoate and Me stearate sub-mechanisms with added reaction pathway were optimized by adjusting reaction rate constants for more accurate prediction. Based on decoupling methodol., a new skeletal mechanism for Me butanoate was constructed by integrating detailed H2/CO/C1 sub-mechanism, reduced C2-C3 sub-mechanism and Me butanoate sub-mechanism. These improved mechanisms were validated well in a shock tube for ignition delay times and in a jet-stirred reactor for major species concentrations over wide operating conditions, resp. When compared to available mechanism in the literature, the present mechanism has good improvement for the prediction of early CO2 formation. Also, the effect of newly added reactions on ignition delay times was analyzed by sensitivity anal. method. Added reaction of Fuel Radical = ME2J + Short Chain Hydrocarbon mainly causes the influence on ignition delay time at high temperature, and decrease the reactivity of oxidation of fuel radical. The reaction of OCHO + M<=>H + CO2 + M dominates the early CO2 formation, and makes less contribution to production of CO2 with higher temperature The improved mechanisms, which consist of Me esters from a relatively short to long C chain, have a good performance for the prediction of early CO2 formation.
Fuel published new progress about Biodiesel fuel. 110-42-9 belongs to class esters-buliding-blocks, name is Methyl decanoate, and the molecular formula is C11H22O2, Related Products of esters-buliding-blocks.
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics