A shock tube and chemical kinetic modeling study of the pyrolysis and oxidation of butanols

被引：89

作者：

Yasunaga, Kenji ^{[2
]}

Mikajiri, Takahiro ^{[2
]}

Sarathy, S. Mani ^{[3
]}

Koike, Tohru ^{[2
]}

Gillespie, Fiona ^{[1
]}

Nagy, Tibor ^{[1
]}

Simmie, John M. ^{[1
]}

Curran, Henry J. ^{[1
]}

机构：

[1] Natl Univ Ireland, Combust Chem Ctr, Sch Chem, Galway, Ireland

[2] Natl Def Acad, Dept Appl Chem, Yokosuka, Kanagawa 239, Japan

[3] Lawrence Livermore Natl Lab, Livermore, CA USA

来源：

COMBUSTION AND FLAME | 2012年 / 159卷 / 06期

基金：

爱尔兰科学基金会;

关键词：

Shock tube; Pyrolysis; Oxidation; Ignition; n-Butanol; sec-Butanol; THERMAL-DECOMPOSITION; COMBUSTION CHEMISTRY; RATE CONSTANTS; VINYL ALCOHOL; DATA-BASE; AUTOIGNITION; PRESSURE; IGNITION; ENERGY; OH;

D O I：

10.1016/j.combustflame.2012.02.008

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

The pyrolysis and oxidation of all four butanols (n-, sec-, iso- and tert-) have been studied at pressures from 1 to 4 atm and temperatures of 1000-1800 K behind reflected shock waves. Gas chromatographic sampling at different reaction times varying from 1.5 to 3.1 ms was used to measure reactant, intermediate and product species profiles in a single-pulse shock tube. In addition, ignition delays were determined at an average reflected shock pressure of 3.5 atm at temperatures from 1250 to 1800 K. A detailed chemical kinetic model consisting of 1892 reactions involving 284 species was constructed and tested against species profiles and ignition delays. The little-known chemistry of enols is included in this work to explain the temperature dependence of acetaldehyde produced in the thermal decomposition of isobutanol. (C) 2012 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

引用

页码：2009 / 2027

页数：19

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