Detailed Chemical Kinetic Study of Acetaldehyde Oxidation and Its Interaction with NO_<i>x</i>

This work entails a detailed modeling and experimental study for the oxidation kinetics of acetaldehyde (CH3CHO) its interaction with NOx. The ignition behavior CH3CHO/O2/Ar has been investigated in shock tube over temperature range 1149 to 1542 K, equivalence ratios 0.5 1.0 pressures near 1.2 bar. Absorbance–time profiles were recorded using mid-IR laser during autoignition measurements. A comprehensive kinetic model developed quantitatively predict validated data this available literature from tube, plug flow, jet-stirred reactors, freely propagating, burner-stabilized premixed flames. For better accuracy model, thermochemistry 14 important species submechanism was calculated ab initio methods. heat formation these computed atomization isodesmic reaction schemes. first time, examines effect NO on wide conditions. In most cases, proposed captures trends remarkably well. Interestingly, doping CH3CHO did not perturb NTC contrast other fuels, such as n-heptane dimethyl ether. However, flow reactor conditions at 1 atm, 504 ppm found promote reactivity by lowering onset ?140 K. hydroxyl radical is main cause shift, which originates + HO2 = OH NO2 reaction. Further evolution radicals occurs via “NO–NO2” looping mechanism expedites system. sheds new light NOx under combustion-relevant