标题：Theoretical study on the atmospheric oxidation reaction of 2-furanaldehyde initiated by NO3 radicals
作者：Huang, Zixiao ;Zhao, Nan ;Ma, Xiaohui ;Xu, Fei ;Zhang, Qingzhu ;Zhuang, Tao ;Wang, Wenxing
作者机构：[Huang, Zixiao ;Ma, Xiaohui ;Xu, Fei ;Zhang, Qingzhu ;Wang, Wenxing ] Environment Research Institute, Shandong University, Qingdao; 266237, China;[Xu, 更多
来源：Chemical Physics Letters
摘要：Furanaldehydes have raised environmental attention due to their large emission and high potential to generate secondary organic aerosol. In this study, the removal process of 2-furanaldehyde initiated by NO3 in gas phase was investigated by quantum chemical calculations. The overall rate constant for trans-2-furanaldehyde initiated by NO3 is 1.04 × 10−12 cm3 molecule−1 s−1 at 298 K and 1 atm. The atmospheric lifetime of 2-furanaldehyde with NO3 is estimated to be 0.53 h. This study indicates that the night-time reactions of 2-furanaldehyde with NO3 could contribute to the oxidative capacity of the atmosphere, secondary organic aerosol formation and new particle formation.