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Shock‐tube and modeling study of acetaldehyde pyrolysis and oxidation
Author(s) -
Yasunaga Kenji,
Kubo Satoshi,
Hoshikawa Hiroki,
Kamesawa Takashi,
Hidaka Yoshiaki
Publication year - 2008
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.20294
Subject(s) - chemistry , acetaldehyde , absorption (acoustics) , reaction rate constant , kinetics , photochemistry , shock tube , analytical chemistry (journal) , absorption spectroscopy , shock wave , ethanol , organic chemistry , physics , quantum mechanics , acoustics , engineering , aerospace engineering
Pyrolysis and oxidation of acetaldehyde were studied behind reflected shock waves in the temperature range 1000–1700 K at total pressures between 1.2 and 2.8 atm. The study was carried out using the following methods, (1) time‐resolved IR‐laser absorption at 3.39 μm for acetaldehyde decay and CH‐compound formation rates, (2) time‐resolved UV absorption at 200 nm for CH 2 CO and C 2 H 4 product formation rates, (3) time‐resolved UV absorption at 216 nm for CH 3 formation rates, (4) time‐resolved UV absorption at 306.7 nm for OH radical formation rate, (5) time‐resolved IR emission at 4.24 μm for the CO 2 formation rate, (6) time‐resolved IR emission at 4.68 μm for the CO and CH 2 CO formation rate, and (7) a single‐pulse technique for product yields. From a computer‐simulation study, a 178‐reaction mechanism that could satisfactorily model all of our data was constructed using new reactions, CH 3 CHO (+M) → CH 4 + CO (+M), CH 3 CHO (+M) → CH 2 CO + H 2 (+M), H + CH 3 CHO → CH 2 CHO + H 2 , CH 3 + CH 3 CHO → CH 2 CHO + CH 4 , O 2 + CH 3 CHO → CH 2 CHO + HO 2 , O + CH 3 CHO → CH 2 CHO + OH, OH + CH 3 CHO → CH 2 CHO + H 2 O, HO 2 + CH 3 CHO → CH 2 CHO + H 2 O 2 , having assumed or evaluated rate constants. The submechanisms of methane, ethylene, ethane, formaldehyde, and ketene were found to play an important role in acetaldehyde oxidation. © 2007 Wiley Periodicals, Inc. 40: 73–102, 2008