Conference proceeding
Experimental and modeling study of the oxidation of n-butane at low and intermediate temperatures
11 Jan 1988
Abstract
An experimental and modeling study of n-butane oxidation in a static reactor was conducted at temperature encompassing the negative temperature coefficient region and portions of the low and intermediate temperature regimes. The numerical model employed a detailed chemical kinetic mechanism for n-butane oxidation. Conditions considered in the combined study were temperatures in the range of 554-737 K, an initial pressure of 550 torr, and a molar mixture ratio of 1:20:20.33 n-butane:O/sub 2/:N/sub 2/. The induction period and stable species concentrations were measured and compared to modeling predictions. The variation in induction period over the region of negative temperature coefficient is well-predicted by the model. The model is also used to analyze the static reactor data of Baker et al. who investigated n-butane/H/sub 2//O/sub 2/N/sub 2/ mixtures. The agreement between their detailed species concentration measurements and the modeling predictions is good. Modeling calculations identified some of the key reactions at the conditions investigated. Internal H-atom abstractions of the butyl peroxy radicals and subsequent reactions contributed significantly to the major intermediate species that were observed and to the production of reactive OH radicals. Additionally, radical-radical reactions involving the HO/sub 2/ radical consumed a significant amount of butyl peroxy radicals and accelerated the overall rate of oxidation. 53 refs., 5 figs., 1 tab.
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Details
- Title
- Experimental and modeling study of the oxidation of n-butane at low and intermediate temperatures
- Creators
- W.J PitzR.D WilkC.K WestbrookN.P CernanskyLawrence Livermore National Lab., CA (USA)
- Resource Type
- Conference proceeding
- Language
- English
- Academic Unit
- [Retired Faculty]; College of Engineering
- Identifiers
- 991020202231104721