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@ARTICLE{Soni:1007650,
      author       = {Soni, Meghna and Sander, Rolf and Sahu, Lokesh K. and
                      Taraborrelli, Domenico and Liu, Pengfei and Patel, Ankit and
                      Girach, Imran A. and Pozzer, Andrea and Gunthe, Sachin S.
                      and Ojha, Narendra},
      title        = {{C}omprehensive multiphase chlorine chemistry in the box
                      model {CAABA}/{MECCA}: {I}mplications to atmospheric
                      oxidative capacity},
      reportid     = {FZJ-2023-02142},
      year         = {2023},
      abstract     = {Tropospheric chlorine chemistry can strongly impact the
                      atmospheric oxidation capacity and composition, especially
                      in urban environments. To account for these reactions, the
                      gas- and aqueous-phase Cl chemistry of the community
                      atmospheric chemistry box model CAABA/MECCA has been
                      extended. In particular, an explicit mechanism for ClNO2
                      formation following N2O5 uptake to aerosols has been
                      developed. The updated model has been applied to two urban
                      environments with different concentrations of NOx (NO and
                      NO2): New Delhi (India) and Leicester (United Kingdom). The
                      model shows a sharp build-up of Cl at sunrise through Cl2
                      photolysis in both environments. Besides Cl2 photolysis,
                      ClO+NO reaction, and photolysis of ClNO2 and ClONO are
                      prominent sources of Cl in Leicester. High-NOx conditions in
                      Delhi tend to suppress the night-time build-up of N2O5 due
                      to titration of O3 and thus lead to lower ClNO2, in contrast
                      to Leicester. Major loss of ClNO2 is through its uptake on
                      chloride, producing Cl2 , which consequently leads to the
                      formation of Cl through photolysis. The reactivities of Cl
                      and OH are much higher in Delhi, however, the Cl/OH ratio is
                      up to ≈7 times greater in Leicester. The contribution of
                      Cl to the atmospheric oxidation capacity is significant and
                      even exceeds (by ≈2.9 times) that of OH during the morning
                      hours in Leicester. Sensitivity simulations suggest that the
                      additional consumption of VOCs due to active gas and
                      aqueous-phase chlorine chemistry enhances OH, HO2, RO2 near
                      the sunrise. The simulation results of the updated model
                      have important implications for future studies on
                      atmospheric chemistry and urban air quality.},
      cin          = {IEK-8},
      cid          = {I:(DE-Juel1)IEK-8-20101013},
      pnm          = {2111 - Air Quality (POF4-211)},
      pid          = {G:(DE-HGF)POF4-2111},
      typ          = {PUB:(DE-HGF)25},
      doi          = {10.5194/egusphere-2023-652},
      url          = {https://juser.fz-juelich.de/record/1007650},
}