Simplification of Carbon Bond Mechanism IV (CBM-IV) under Different Initial Conditions by Using Concentration Sensitivity Analysis
Simplification of Carbon Bond Mechanism IV (CBM-IV) under Different Initial Conditions by Using Concentration Sensitivity Analysis
复制标题
利用浓度敏感性分析简化不同初始条件下的碳键机制 IV (CBM-IV)
DOI：
10.3390/molecules24132463
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发表时间：
2019-07
期刊：
影响因子：
4.6
通讯作者：
Gao Mengmeng
中科院分区：
文献类型：
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作者：
Cao Le;Li Simeng;Yi Ziwei;Gao Mengmeng
Carbon Bond Mechanism IV (CBM-IV) is a widely used reaction mechanism in which VOCs are grouped according to the molecular structure. In the present study, we applied a sensitivity analysis on the CBM-IV mechanism to clarify the importance of each reaction under two different initial conditions (urban and low-NOx scenarios). The reactions that exert minor influence on the reaction system are then screened out from the mechanism, so that a reduced version of the CBM-IV mechanism under specific initial conditions can be obtained. We found that in a typical urban condition, 11 reactions can be removed from the original CBM-IV mechanism, and the deviation is less than 5% between the results using the original CBM-IV mechanism and the reduced mechanism. Moreover, in a low-NOx initial condition, two more reactions, both of which are nitrogen-associated reactions, can be screened out from the reaction mechanism, while the accuracy of the simulation is still maintained. It is estimated that the reduction of the CBM-IV mechanism can save 11–14% of the computing time in the calculation of the chemistry in a box model simulation.
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影响因子：
4.3
作者：
Damian, V;Sandu, A;Carmichael, GR
通讯作者：
Carmichael, GR
DOI：
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发表时间：
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期刊：
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影响因子：
--
作者：
通讯作者：
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影响因子：
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作者：
N. Oshima;M. Koike;Yang Zhang;Y. Kondo;N. Moteki;N. Takegawa;Y. Miyazaki
通讯作者：
N. Oshima;M. Koike;Yang Zhang;Y. Kondo;N. Moteki;N. Takegawa;Y. Miyazaki
影响因子：
5
作者：
K. Kwak;Jong‐Jin Baik
通讯作者：
K. Kwak;Jong‐Jin Baik
影响因子：
5
作者：
Kang, DW;Aneja, VP;Ray, JD
通讯作者：
Ray, JD