ATMOSPHERIC CHEMISTRY OF AUTOMOTIVE FUEL ADDITIVES - DIISOPROPYL ETHER

被引:42
作者
WALLINGTON, TJ [1 ]
ANDINO, JM [1 ]
POTTS, AR [1 ]
RUDY, SJ [1 ]
SIEGL, WO [1 ]
ZHANG, ZY [1 ]
KURYLO, MJ [1 ]
HULE, RE [1 ]
机构
[1] NATL INST STAND & TECHNOL,DIV CHEM KINET & THERMODYNAM,GAITHERSBURG,MD 20899
关键词
D O I
10.1021/es00038a009
中图分类号
X [环境科学、安全科学];
学科分类号
08 ; 0830 ;
摘要
To quantify the atmospheric reactivity of diisopropyl ether (DIPE), we have conducted a study of the kinetics and mechanism of reaction 1: OH + DIPE - products. Kinetic measurements of reaction 1 were made using both relative (at 295 K) and absolute techniques (over the temperature range 240-440 K). Rate data from both techniques can be represented by the following: k1 = (2.2(-0.8)+1.4 X 10(-12) exp[(445 +/- 145)/T] cm3 molecule-1. At 298 K, k1 = 9.8 X 10(-12) cm3 molecule-1 s-1. The products of the simulated atmospheric oxidation of DIPE were identified using FT-IR spectroscopy, isopropyl acetate and HCHO were the main products. The atmospheric oxidation of DIPE can be represented by i-C3H7O-i-C3H7 + OH + 2NO --> HCHO + i-C3H7OC(O)CH3 + HO2 + 2NO2. Our kinetic and mechanistic data were incorporated into a 1-day simulation of atmospheric chemistry to quantify the relative incremental reactivity of DIPE. Results are compared with other oxygenated fuel additives.
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页码:98 / 104
页数:7
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