An intermediate temperature modeling study of the combustion of neopentane

Technical Report · Sun Oct 01 04:00:00 EDT 1995

DOI:https://doi.org/10.2172/125001· OSTI ID:125001

Curran, H J; Pitz, W J; Westbrook, C K

Low temperature hydrocarbon fuel oxidation proceeds via straight and branched chain reactions involving alkyl and alkyl peroxy radicals. These reactions play a critical role in the chemistry leading to knock or autoignition in spark ignition engines. As part of an on-going study in the understanding of low temperature oxidation of hydrocarbon fuels, the authors have investigated neopentane oxidation. A detailed chemical kinetic reaction mechanism is used to study the oxidation of neopentane in a closed reactor at 500 Torr pressure, and at a temperature of 753 K when small amounts of neopentane are added to slowly reacting mixtures of H{sub 2} + O{sub 2} + N{sub 2}. The major primary products formed in the experiments included isobutene, 3,3-dimethyloxetan, acetone, methane and formaldehyde. The major secondary products were, 2,2-dimethyloxiran, propene, isobuteraldehyde, methacrolein, and 2-methylprop-2-en-1-ol. It was found that the current model was able to explain both primary and secondary product formation with a high degree of accuracy. Furthermore, it was found that almost all secondary product formation could be explained through the oxidation of isobutene--a major primary product.

• Research Organization: Lawrence Livermore National Lab., CA (United States)
• Sponsoring Organization: USDOE, Washington, DC (United States)
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 125001
• Report Number(s): UCRL-JC--122362; CONF-9510145--1; ON: DE96002041
• Country of Publication: United States
• Language: English

Related Subjects

02 PETROLEUM
2-2-DIMETHYLPROPANE
33 ADVANCED PROPULSION SYSTEMS
COMBUSTION KINETICS
COMBUSTION PRODUCTS
EXPERIMENTAL DATA
HYDROGEN FUELS
KNOCK CONTROL
MATHEMATICAL MODELS
OXIDATION
PETROLEUM PRODUCTS
SPARK IGNITION ENGINES