Experimental and modeling study of shock-tube oxidation of acetylene

被引:59
作者
Eiteneer, B
Frenklach, M [1 ]
机构
[1] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA
[2] GE Energy & Environm Res Corp, Irvine, CA 92618 USA
关键词
D O I
10.1002/kin.10141
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 [物理化学]; 081704 [应用化学];
摘要
Nine mixtures of acetylene and oxygen diluted in argon were studied behind reflected shock waves at temperatures of 1150-2132 K and pressures of 0.9-1.9 atm. Initial compositions were varied from very fuel-lean to moderately fuel-rich, covering equivalence ratios of 0.0625-1.66. Two more mixtures with added ethylene were used to boost the sensitivity to reactions of vinyl oxidation. The progress of reaction was monitored by laser absorption of CO molecules. The collected experimental data were subjected to extensive detailed chemical kinetics analysis. The initial kinetic model was assembled based on recent literature data and then optimized using the solution mapping technique. The analysis was extended to include recent experimental observations of Hidaka and co-workers (Combust Flame 1996, 107, 401). The derived model reproduces closely both sets of experimental data, the result obtained by modifying nine rate coefficients and three enthalpies of formation of intermediate species. The identified parameter tradeoffs and justification for the changes are discussed. (C) 2003 Wiley Periodicals, Inc.
引用
收藏
页码:391 / 414
页数:24
相关论文
共 121 条
[1]
ALEKSANDROV EN, 1981, KINET CATAL+, V22, P391
[2]
[Anonymous], P COMBUST I
[3]
[Anonymous], 697 TAE
[4]
[Anonymous], CHEMISTRY PHYSICS CA
[5]
EVALUATED KINETIC DATA FOR COMBUSTION MODELING [J].
BAULCH, DL ;
COBOS, CJ ;
COX, RA ;
ESSER, C ;
FRANK, P ;
JUST, T ;
KERR, JA ;
PILLING, MJ ;
TROE, J ;
WALKER, RW ;
WARNATZ, J .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1992, 21 (03) :411-734
[6]
EVALUATED KINETIC DATA FOR COMBUSTION MODELING SUPPLEMENT-I [J].
BAULCH, DL ;
COBOS, CJ ;
COX, RA ;
FRANK, P ;
HAYMAN, G ;
JUST, T ;
KERR, JA ;
MURRELLS, T ;
PILLING, MJ ;
TROE, J ;
WALKER, RW ;
WARNATZ, J .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1994, 23 (06) :847-1033
[7]
RATE CONSTANTS OF THE REACTION O(P-3) + C2H2 AT LOW-TEMPERATURES [J].
BOHN, B ;
STUHL, F .
JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (21) :8010-8011
[8]
Identification of the sequence CH((2)Pi)+C2H2->C3H2+H (and C3H+H-2) followed by C3H2+O->C2H+HCO (or H+CO) as C2H source in C2H2/O/H atomic flames [J].
Boullart, W ;
Devriendt, K ;
Borms, R ;
Peeters, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (03) :998-1007
[9]
HYDROCARBON RADICAL REACTIONS WITH O-2 - COMPARISON OF ALLYL, FORMYL, AND VINYL TO ETHYL [J].
BOZZELLI, JW ;
DEAN, AM .
JOURNAL OF PHYSICAL CHEMISTRY, 1993, 97 (17) :4427-4441
[10]
ESR STUDIES OF REACTIONS OF ATOMIC OXYGEN AND HYDROGEN WITH SIMPLE HYDROCARBONS [J].
BROWN, JM ;
THRUSH, BA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1967, 63 (531P) :630-&