Atmospheric Chemistry of Automotive Fuel Additives: Diisopropyl Ether

Timothy J. Walllngton; Jean M. Andino; Alan R. Potts; Sara J. Rudy; Walter O. Siegl; Zhengyu Zhang; Michael J. Kurylo; Robert E. Huie

doi:10.1021/es00038a009

Atmospheric Chemistry of Automotive Fuel Additives: Diisopropyl Ether

Timothy J. Walllngton, Jean M. Andino, Alan R. Potts, Sara J. Rudy, Walter O. Siegl, Zhengyu Zhang, Michael J. Kurylo, Robert E. Huie

Research output: Contribution to journal › Article › peer-review

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Abstract

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) × 10⁻¹² exp[(445 ± 145)/T] cm³ molecule⁻¹ s⁻¹. At 298 K, k₁ = 9.8 × 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.

Original language	English (US)
Pages (from-to)	98-104
Number of pages	7
Journal	Environmental Science and Technology
Volume	27
Issue number	1
DOIs	https://doi.org/10.1021/es00038a009
State	Published - 1993
Externally published	Yes

ASJC Scopus subject areas

Chemistry(all)
Environmental Chemistry

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@article{a0335312eb204c5ea9c2a385e62a9f4d,

title = "Atmospheric Chemistry of Automotive Fuel Additives: Diisopropyl Ether",

abstract = "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) × 10−12 exp[(445 ± 145)/T] cm3 molecule−1 s−1. At 298 K, k1 = 9.8 × 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.",

author = "Walllngton, {Timothy J.} and Andino, {Jean M.} and Potts, {Alan R.} and Rudy, {Sara J.} and Siegl, {Walter O.} and Zhengyu Zhang and Kurylo, {Michael J.} and Huie, {Robert E.}",

year = "1993",

doi = "10.1021/es00038a009",

language = "English (US)",

volume = "27",

pages = "98--104",

journal = "Environmental Science and Technology",

issn = "0013-936X",

publisher = "American Chemical Society",

number = "1",

}

TY - JOUR

T1 - Atmospheric Chemistry of Automotive Fuel Additives

T2 - Diisopropyl Ether

AU - Walllngton, Timothy J.

AU - Andino, Jean M.

AU - Potts, Alan R.

AU - Rudy, Sara J.

AU - Siegl, Walter O.

AU - Zhang, Zhengyu

AU - Kurylo, Michael J.

AU - Huie, Robert E.

PY - 1993

Y1 - 1993

N2 - 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) × 10−12 exp[(445 ± 145)/T] cm3 molecule−1 s−1. At 298 K, k1 = 9.8 × 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.

AB - 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) × 10−12 exp[(445 ± 145)/T] cm3 molecule−1 s−1. At 298 K, k1 = 9.8 × 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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Atmospheric Chemistry of Automotive Fuel Additives: Diisopropyl Ether

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