Comparative modelling study on the inhibiting effect of TAME, ETBE and MTBE at low temperature

Citation
H. Bohm et al., Comparative modelling study on the inhibiting effect of TAME, ETBE and MTBE at low temperature, PHYS CHEM P, 2(9), 2000, pp. 1929-1933
Citations number
34
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
2
Issue
9
Year of publication
2000
Pages
1929 - 1933
Database
ISI
SICI code
1463-9076(2000)2:9<1929:CMSOTI>2.0.ZU;2-Q
Abstract
The oxidation of tert-amyl methyl ether (TAME) at low temperature and low p ressure is investigated computationally in a static reactor. The results ar e compared to measurements. The observed satisfactory agreement between the model predictions and the experimental data confirms the validity of the p roposed reaction scheme. The results for TAME oxidation are related to thos e for ethyl tert-butyl ether (ETBE) and methyl tert-butyl ether (MTBE), pre viously obtained in the literature. For all three ethers, it is found that their addition to n-pentane increases the induction period of the first coo l flame of the latter. The calculations indicate that the amount of alkene production which can form resonance-stabilized "dead radicals'' correlates with the efficiency of octane boosters.