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
相关论文
共 50 条
  • [1] Low temperature combustion of ethyl tert-butyl ether characterization using synchrotron photoionization mass spectrometry
    Catani, Katherine J.
    Ng, Martin
    Taatjes, Craig A.
    Osborn, David L.
    Meloni, Giovanni
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
  • [2] A physiological model for tert-amyl methyl ether and tert-amyl alcohol:: Hypothesis testing of model structures
    Collins, AS
    Sumner, SCJ
    Borghoff, SJ
    Medinsky, MA
    TOXICOLOGICAL SCIENCES, 1999, 49 (01) : 15 - 28
  • [3] Thermodynamic and kinetic study of tert-amyl methyl ether (TAME) synthesis
    Mao, Wei
    Wang, Xiaolei
    Wang, Hua
    Chang, Heying
    Zhang, Xiangwen
    Han, Jinyu
    CHEMICAL ENGINEERING AND PROCESSING-PROCESS INTENSIFICATION, 2008, 47 (05) : 761 - 769
  • [4] Catalytic oxidation of methyl tert-butyl ether and tert-amyl methyl ether by bifunctional aluminum in the presence of dioxygen.
    Lien, HL
    Zhang, WX
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2001, 222 : U423 - U423
  • [5] VAPOR-PRESSURES OF METHYL TERT-BUTYL ETHER, ETHYL TERT-BUTYL ETHER, ISOPROPYL TERT-BUTYL ETHER, TERT-AMYL METHYL-ETHER, AND TERT-AMYL ETHYL ETHER
    KRAHENBUHL, MA
    GMEHLING, J
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1994, 39 (04): : 759 - 762
  • [6] Biotransformation of [12C]- and [13C]-tert-amyl methyl ether and tert-amyl alcohol
    Amberg, A
    Bernauer, U
    Scheutzow, D
    Dekant, W
    CHEMICAL RESEARCH IN TOXICOLOGY, 1999, 12 (10) : 958 - 964
  • [7] Determination of low level methyl tert-butyl ether, ethyl tert-butyl ether and methyl tert-amyl ether in human urine by HS-SPME gas chromatography/mass spectrometry
    Scibetta, Licia
    Campo, Laura
    Mercadante, Rosa
    Foa, Vito
    Fustinoni, Silvia
    ANALYTICA CHIMICA ACTA, 2007, 581 (01) : 53 - 62
  • [8] THERMODYNAMICS OF THE SYNTHESIS OF TERT-AMYL METHYL-ETHER (TAME)
    SAFRONOV, VV
    SHARONOV, KG
    ROZHNOV, AM
    ALENIN, VI
    SIDOROV, SA
    JOURNAL OF APPLIED CHEMISTRY OF THE USSR, 1989, 62 (04): : 763 - 767
  • [9] SELECTIVE PRODUCTION OF TERT-AMYL METHYL-ETHER USING SHEET SILICATES
    FLEITAS, DH
    MACANIO, HR
    PEREZ, CF
    ORIO, OA
    REACTION KINETICS AND CATALYSIS LETTERS, 1991, 43 (01): : 183 - 188
  • [10] TOTAL PRESSURE MEASUREMENTS OF BINARY-MIXTURES CONTAINING TERT-AMYL METHYL-ETHER AND TERT-AMYL ALCOHOL
    SEMAR, S
    SANDLER, SI
    ANTOSIK, M
    JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1995, 40 (03): : 712 - 718
12345