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. 2024 Mar 22;16:34. doi: 10.1186/s13321-024-00825-0

Table 1.

KM-SUB kinetic and experimental input parameters

Parameter Lower boundary Upper boundary Description
kSLR 1.0 × 10-15 1.0 × 10-8 Rate coefficient of OL+O3 surface reaction (cm3 s-1)
kBR 1.0 × 10-20 1.0 × 10-11 Rate coefficient of OL+O3 bulk reaction (cm3 s-1)
Db,O3 1.0 × 10-11 1.0 × 10-5 Bulk diffusion coefficient of ozone (cm2 s-1)
Db,OL 1.0 × 10-12 1.0 × 10-6 Bulk diffusion coefficient of oleic acid (cm2 s-1)
Hcp,O3 5.0 × 10-6 5.0 × 10-3 Henry’s law solubility coefficient of ozone (mol cm-3 atm-1)
τd,O3 1.0 × 10-9 1.0 × 10-2 Desorption lifetime of O3 (s)
αs,0,O3 1.0 × 10-4 1 Surface accommodation coefficient of ozone on an adsorbate-free surface ( )
rp 2.5 × 10-6 1.0 × 10-3 Particle radius (cm)
[O3]g,0 1.0 × 1011 1.0 × 1015 Initial gas phase number concentration of ozone (cm-3)
[OL]b,0 1.0 × 1019 2.0 × 1021 Initial bulk number concentration of oleic acid (cm-3)

The respective lower and upper boundaries indicate the initial constraints of the fit ensemble and an estimate of experimentally accessible conditions in a laboratory for atmospheric aerosol chemistry