Hello, I am using the latest AERO7I version for simulation and I have encountered some confusions. I hope you can answer them.
‘’ BENZRO2 + NO = NO + 0.034SVAVB2 + 0.392SVAVB4 # 1.0*K''Does this reaction always occur? Or is it limited by high NOX? I want to simulate nitrophenols later. Are AAVB2J, AAVB3J, AAVB4J related to nitrophenols? N. L. Ng et al.: Secondary organic aerosol formation from aromatics (2007, ACP). This article mentions that one mechanism by which NOx levels may affect the products formed during the oxidation of aromatic hydrocarbons is through reaction with aromatic OH adducts. Under atmospheric conditions, aromatic OH adducts mainly react with O2. At very high NOx levels (ppm levels), the adduct + NO is still negligible (Koch et al., 2006), while the adduct/NO2 reaction increases in importance, leading to nitrogen-containing ring-conserving products such as nitrobenzene and nitrotoluene. I wonder if this means that AAVB2J contains nitrophenols in it.
This reaction always occurs when NO is present and its rate will be modulated by the abundance of NO and HO2 as BENZRO2 + HO2 is a competing fate. The yield is not directly modulated by NO2. A “high-NOx” experiment may be dominated by RO2 + NO, but not necessarily (see Wennberg 2023 ACS ES&T Air). The SOA products here were introduced by Qin et al. (2021) and represent a VBS-style fit to observed organic aerosol concentrations from Ng. et al. (2007). The products could contain nitrophenols, but the fit does not contain explicit gas-phase products as it is implemented in parallel to the gas-phase chemistry. Consider using CRACMM in the future if you want to avoid double counting mass in gas and aerosol systems.
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Thank you for your reply！