%0 Journal Article %1 Vranckx2013 %A Vranckx, Stijn %A Beeckmann, Joachim %A Kopp, Wassja Alexander %A Lee, Changyoul %A Cai, Liming %A Chakravarty, Harish Kumar %A Olivier, Herbert %A Leonhard, Kai %A Pitsch, Heinz %A Fernandes, Ravi Xavier %D 2013 %J Combustion and Flame %K butyl experimental formate kinetic mechanism modelling study %N 12 %P 2680 - 2692 %R 10.1016/j.combustflame.2013.06.012 %T An experimental and kinetic modelling study of n-butyl formate combustion %U http://www.sciencedirect.com/science/article/pii/S001021801300237X %V 160 %X Abstract The oxidation of n-butyl formate, a potential biofuel candidate, is studied using three different experimental approaches. Ignition delay times have been measured for stoichiometric mixtures of fuel and air for pressures of about 20 and 90 bar at temperatures from 846 up to 1205 K in a high-pressure shock tube. A rapid compression machine has been used to determine the low-temperature ignition delay times for stoichiometric mixtures at pressures close to 20 bar over the temperature range from 646 K up to 861 K. Laminar burning velocities have been determined for stoichiometric ratios ranging from 0.8 to 1.2 using the high-pressure chamber method combined with an optical Schlieren cinematography setup in order to acquire experimental data at elevated pressures of about 10 bar and a temperature of 373 K. A detailed kinetic model has been constructed including high-temperature and low-temperature reaction pathways. The enthalpies of formation, entropies, and specific heats at constant pressure for the fuel, its primary radicals, and several combustion intermediates have been computed with the CBS-QB3 methods and included in the mechanism. This model was validated successfully against the presented data and used to elucidate the combustion of this interesting ester. The importance of accurate inclusion of the low-temperature peroxy chemistry has been highlighted through sensitivity and reaction path analysis. This study presents the first combustion study of n-butyl formate and leads to an improved understanding of the chemical kinetics of alkyl ester oxidation.

@article{Vranckx2013, abstract = {Abstract The oxidation of n-butyl formate, a potential biofuel candidate, is studied using three different experimental approaches. Ignition delay times have been measured for stoichiometric mixtures of fuel and air for pressures of about 20 and 90 bar at temperatures from 846 up to 1205 K in a high-pressure shock tube. A rapid compression machine has been used to determine the low-temperature ignition delay times for stoichiometric mixtures at pressures close to 20 bar over the temperature range from 646 K up to 861 K. Laminar burning velocities have been determined for stoichiometric ratios ranging from 0.8 to 1.2 using the high-pressure chamber method combined with an optical Schlieren cinematography setup in order to acquire experimental data at elevated pressures of about 10 bar and a temperature of 373 K. A detailed kinetic model has been constructed including high-temperature and low-temperature reaction pathways. The enthalpies of formation, entropies, and specific heats at constant pressure for the fuel, its primary radicals, and several combustion intermediates have been computed with the CBS-QB3 methods and included in the mechanism. This model was validated successfully against the presented data and used to elucidate the combustion of this interesting ester. The importance of accurate inclusion of the low-temperature peroxy chemistry has been highlighted through sensitivity and reaction path analysis. This study presents the first combustion study of n-butyl formate and leads to an improved understanding of the chemical kinetics of alkyl ester oxidation. }, added-at = {2013-12-02T13:30:21.000+0100}, author = {Vranckx, Stijn and Beeckmann, Joachim and Kopp, Wassja Alexander and Lee, Changyoul and Cai, Liming and Chakravarty, Harish Kumar and Olivier, Herbert and Leonhard, Kai and Pitsch, Heinz and Fernandes, Ravi Xavier}, biburl = {https://www.bibsonomy.org/bibtex/2c98c1043eb0c1f5aacadd7979bdf66ec/rlanger}, description = {An experimental and kinetic modelling study of n-butyl formate combustion}, doi = {10.1016/j.combustflame.2013.06.012}, interhash = {b9ada00996496dbe78964ab896782dcf}, intrahash = {c98c1043eb0c1f5aacadd7979bdf66ec}, issn = {0010-2180}, journal = {Combustion and Flame }, keywords = {butyl experimental formate kinetic mechanism modelling study}, number = 12, pages = {2680 - 2692}, timestamp = {2014-01-10T22:28:16.000+0100}, title = {An experimental and kinetic modelling study of \textit{n}-butyl formate combustion }, url = {http://www.sciencedirect.com/science/article/pii/S001021801300237X}, volume = 160, year = 2013 }