Study of tert-Amyl Methyl Ether Low Temperature Oxidation Using Synchrotron Photoionization Mass Spectrometry

被引：12
|
作者：
Ng, Martin Y. [1 ]
Bryan, Brittany M. [1 ]
Nelson, Jordan [1 ]
Meloni, Giovanni [1 ]
机构：
[1] Univ San Francisco, Dept Chem, San Francisco, CA 94117 USA
来源：
JOURNAL OF PHYSICAL CHEMISTRY A | 2015年 / 119卷 / 32期
关键词：
SEMIVOLATILE ORGANIC FRACTIONS; FRANCK-CONDON FACTORS; SET MODEL CHEMISTRY; CROSS-SECTIONS; COMBUSTION CHEMISTRY; COMBINED PARTICULATE; RATE CONSTANTS; OH RADICALS; TOXICITY; KINETICS;
D O I：
10.1021/acs.jpca.5b05223
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
This paper examines the oxidation reaction of tert-amyl methyl ether (TAME), an oxygenated fuel additive, with chlorine radical initiators in the presence of oxygen. Data are collected at 298, 550, and 700 K. Reaction intermediates and products are probed by a multiplexed chemical kinetics synchrotron photoionization mass spectrometer (SPIMS) and characterized on the basis of the mass-to-charge ratio, ionization energy, and photoionization spectra. Branching fractions of primary products are obtained at the different reaction temperatures. CBS-QB3 computations are also carried out to study the potential energy surface of the investigated reactions to validate detected primary products.
引用
收藏
页码：8667 / 8682
页数：16
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