Rate coefficients of hydroxyl radical reaction with dimethyl ether over a temperature range of 257-333 K

被引:13
作者
Kawade, Monali [1 ]
Sharma, Asmita [1 ]
Srinivas, D. [1 ]
Saha, Ankur [1 ]
Upadhyaya, Hari P. [1 ]
Kumar, Awadhesh [1 ]
Naik, Prakash D. [1 ]
机构
[1] Bhabha Atom Res Ctr, Radiat & Photochem Div, Bombay 400085, Maharashtra, India
关键词
TERT-BUTYL ETHER; GAS-PHASE REACTIONS; RATE CONSTANTS; OH RADICALS; FUEL ADDITIVES; KINETICS; SERIES; MECHANISM; ALCOHOL;
D O I
10.1016/j.cplett.2018.06.065
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
The reaction of dimethyl ether (DME) with OH radical was studied using a laser photolysis-laser induced fluorescence technique in the temperature range of 257-333 K at 30 Torr. The temperature dependent rate coefficient is represented by the expression, k(T) = (9.7 +/- 1.0) x 10(-12) exp {-(380 +/- 25)/T} cm(3) molecules(-1) s(-1) and atmospheric lifetime was found to be 4.7 days. To elucidate the reaction mechanism and complement the experimental work, the energies and structures of the reactants and transition states involved were determined theoretically using the G3 method. The radiative forcing and the global warming potential for 100 years time horizon of DME were estimated to be 0.03 W m(-2) ppb(-1) and 0.02, respectively. (C) 2018 Elsevier B.V. All rights reserved.
引用
收藏
页码:558 / 563
页数:6
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