On the two-stage auto-ignition of butyl nitrite isomers

Zhaohan Chu, Wanxiong Liao, Zhongkai Liu, Yiru Wang, Qifeng Hou, Feng Zhang, Chung K. Law, Bin Yang

Research output: Contribution to journalArticlepeer-review

Abstract

In response to the interest in nitrogen-containing compounds as energetic materials, an experimental and kinetic study on the low-temperature oxidation of three butyl nitrites isomers, namely n‑butyl (NBN), isobutyl (IBN), and tert‑butyl (TBN) was performed. By measuring their ignition delays in a rapid compression machine (RCM) under 5–15 bar at temperatures from 550 to 630 K, a two-stage ignition behavior was observed for all the three nitrites, with the first-stage delays of TBN being shorter than those of NBN and IBN. A detailed kinetic mechanism was constructed and validated against the experimental data, and the production rate was analyzed to explain the first-stage ignition behavior. Specifically, the N−O bond dissociation reaction initiated the consumption of butyl nitrites isomers in all cases studied, which produced NO and different butoxy radicals (C4H9O). In the case of TBN, the decomposition of TC4H9O produces CH3 in the first-stage ignition. The abundant CH3 radical reacts with NO2 to produce CH3O, which further yields HO2 and CH2O through the reaction with O2. The inert HO2 radical is converted to OH through the reaction HO2 + NO = OH + NO2, resulting in the first-stage ignition. Meanwhile, the decomposition of PC4H9O and IC4H9O produces n-propyl and i-propyl radicals, respectively, in the cases of NBN and IBN. The reaction sequences of n-propyl and i-propyl radicals produce less HO2 radicals compared with that in TBN, leading to longer first-stage ignition time.

Original languageEnglish (US)
Article number114185
JournalCombustion and Flame
Volume277
DOIs
StatePublished - Jul 2025
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Chemistry
  • General Chemical Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology
  • General Physics and Astronomy

Keywords

  • Butyl nitrites
  • Combustion kinetic model
  • Ignition delay time
  • Rapid compression machine

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