Gas-Phase Reactions of Isoprene and Its Major Oxidation Products

被引：323
|
作者：
Wennberg, Paul O. [1 ,2 ]
Bates, Kelvin H. [3 ,4 ,5 ]
Crounse, John D. [1 ]
Dodson, Leah G. [3 ,6 ]
McVay, Renee C. [3 ,7 ]
Mertens, Laura A. [3 ,8 ]
Nguyen, Tran B. [1 ,9 ]
Praske, Eric [3 ]
Schwantes, Rebecca H. [1 ,10 ]
Smarte, Matthew D. [3 ]
St Clair, Jason M. [1 ,11 ,12 ]
Teng, Alexander P. [1 ,13 ]
Zhang, Xuan [2 ,10 ]
Seinfeld, John H. [2 ,3 ]
机构：
[1] CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA
[2] CALTECH, Div Engn & Appl Sci, Pasadena, CA 91125 USA
[3] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA
[4] Harvard Univ, Natl Ocean & Atmospher Adm, Cambridge, MA 02138 USA
[5] Harvard Univ, Ctr Environm, Cambridge, MA 02138 USA
[6] NIST, Boulder, CO USA
[7] Environm Def Fund, Austin, TX USA
[8] NIST, Gaithersburg, MD 20899 USA
[9] Univ Calif Davis, Coll Agr & Environm Sci, Davis, CA 95616 USA
[10] Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA
[11] NASA, Goddard Space Flight Ctr, Atmospher Chem & Dynam Lab, Greenbelt, MD USA
[12] Univ Maryland Baltimore Cty, Joint Ctr Earth Syst Technol, Baltimore, MD 21228 USA
[13] Divergent 3D, Los Angeles, CA USA
来源：
CHEMICAL REVIEWS | 2018年 / 118卷 / 07期
基金：
美国国家科学基金会; 美国国家航空航天局;
关键词：
SECONDARY ORGANIC AEROSOL; METHYL VINYL KETONE; OH-INITIATED OXIDATION; CRIEGEE INTERMEDIATE CH2OO; PEROXY RADICAL REACTIONS; ADJOINT SENSITIVITY-ANALYSIS; SOUTHEASTERN UNITED-STATES; RATE-CONSTANT MEASUREMENTS; ABSORPTION CROSS-SECTIONS; CHEMICAL KINETIC SYSTEMS;
D O I：
10.1021/acs.chemrev.7b00439
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Isoprene carries approximately half of the flux of non-methane volatile organic carbon emitted to the atmosphere by the biosphere. Accurate representation of its oxidation rate and products is essential for quantifying its influence on the abundance of the hydroxyl radical (OH), nitrogen oxide free radicals (NOx), ozone (O-3), and, via the formation of highly oxygenated compounds, aerosol. We present a review of recent laboratory and theoretical studies of the oxidation pathways of isoprene initiated by addition of OH, O-3, the nitrate radical (NO3), and the chlorine atom. From this review, a recommendation for a nearly complete gas-phase oxidation mechanism of isoprene and its major products is developed. The mechanism is compiled with the aims of providing an accurate representation of the flow of carbon while allowing quantification of the impact of isoprene emissions on HOx and NOx free radical concentrations and of the yields of products known to be involved in condensed-phase processes. Finally, a simplified (reduced) mechanism is developed for use in chemical transport models that retains the essential chemistry required to accurately simulate isoprene oxidation under conditions where it occurs in the atmosphere-above forested regions remote from large NOx emissions.
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页码：3337 / 3390
页数：54
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