The combustion of acetaldehyde behind incident shock waves

Shock‐tube and modeling study of acetaldehyde pyrolysis and oxidation

“…(c) Sensitivity spectra (pS) [36] of CH 2 CO, C 3 H 6 , and C 2 H 4 concentrations for reactions (1)- (20) •, observed at 1321 K, 1.60 atm, 1.43 × 10 −5 mol/cm 3 ; : observed at 1497 K, 1.89 atm, 1.54 × 10 −5 mol/cm 3 ; ---: calculated with the mechanism described in Table XII; ·········: calculated with the mechanism described in Table XII changing k 5 to k 5 = 4.10 × 10 9 T 1.16 exp(−2.4 kcal/RT) cm 3 mol −1 s −1 [37]; -·-·-·-·-·: calculated with the mechanism described in Table XII •: observed at 1526 K, 2.24 atm, 1.79 × 10 −5 mol/cm 3 ; ---: calculated with the mechanism described in Table XII; · · · · · · · · · · · ·: reactions (1), (5), (7), (9), (11), (13), (15), and (17) and the rate constant values reported by Baulch et al [37,38]; ------: reactions (1), (5), (7), (9), (11), (13), (15), (17), and CH 3 CHO + CHO = CH 3 CO + CH 2 O and the rate constant values reported by Dagaut et al [14]. (b) Sensitivity spectra (pS) [36] of OH concentrations for reactions (1)- (20) at 1526 K and at 600 µs using mixture D. The solid bars show the result of multiplying the indicated rate constants by 0.2, whereas the open bars show the result of multiplying the indicated rate constants by 5.…”

“…At high temperatures above 1000 K, there are several reports for acetaldehyde oxidation [12][13][14][15]. Colket et al [12] have studied the kinetics of the first stage of acetaldehyde oxidation over the temperature range 1030-1115 K with a turbulent flow reactor.…”

“…They found that the major and minor products measured were H 2 , CO, CH 4 , C 2 H 6 and CO 2 , C 2 H 4 , CH 2 O, respectively, and proposed a scheme of 26 reactions to explain the results. Beeley et al [13] have studied the ignition behind incident shock waves over the higher temperature range 1550-1850 K and explained the results with 35 reactions. Recently, two acetaldehyde oxidation mechanisms were reported [14,15].…”

“…Dagaut et al [14] have studied acetaldehyde oxidation using a jet-stirred reactor under a wide range of conditions: 1-10 atm and 900-1300 K. They measured concentration profiles of reactant, intermediates, and products of acetaldehyde oxidation by probe sampling and GC analyses and proposed a detailed reaction mechanism. They used reactions (1), (5), (7), (9), (11), (13), (15), and CH 3 CHO + CHO = CH 3 CO + CH 2 …”

“…They also used reactions (1), (5), (7), (9), (11), (13), and (15) for acetaldehyde elimination reactions and found that reactions (5), (13), and (15) have a strong effect on their results. The rate constants of reactions (5) and (13) were evaluated.…”