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Table 1 KM-SUB kinetic and experimental input parameters

From: A numerical compass for experiment design in chemical kinetics and molecular property estimation

Parameter

Lower boundary

Upper boundary

Description

\(k_{\text {SLR}}\)

1.0 \(\times\) 10\(^{-15}\)

1.0 \(\times\) 10\(^{-8}\)

Rate coefficient of OL+O\(_3\) surface reaction (cm\(^3\) s\(^{-1}\))

\(k_{\text {BR}}\)

1.0 \(\times\) 10\(^{-20}\)

1.0 \(\times\) 10\(^{-11}\)

Rate coefficient of OL+O\(_3\) bulk reaction (cm\(^3\) s\(^{-1}\))

\(D_{\text {b,O3}}\)

1.0 \(\times\) 10\(^{-11}\)

1.0 \(\times\) 10\(^{-5}\)

Bulk diffusion coefficient of ozone (cm\(^2\) s\(^{-1}\))

\(D_{\text {b,OL}}\)

1.0 \(\times\) 10\(^{-12}\)

1.0 \(\times\) 10\(^{-6}\)

Bulk diffusion coefficient of oleic acid (cm\(^2\) s\(^{-1}\))

\(H_{\text {cp,O3}}\)

5.0 \(\times\) 10\(^{-6}\)

5.0 \(\times\) 10\(^{-3}\)

Henry’s law solubility coefficient of ozone (mol cm\(^{-3}\) atm\(^{-1}\))

\(\tau _{\text {d,O3}}\)

1.0 \(\times\) 10\(^{-9}\)

1.0 \(\times\) 10\(^{-2}\)

Desorption lifetime of O\(_3\) (s)

\(\alpha _{\text {s,0,O3}}\)

1.0 \(\times\) 10\(^{-4}\)

1

Surface accommodation coefficient of ozone on an adsorbate-free surface ( )

\(r_{\text {p}}\)

2.5 \(\times\) 10\(^{-6}\)

1.0 \(\times\) 10\(^{-3}\)

Particle radius (cm)

\([\text{O}_3]_{\text {g,0}}\)

1.0 \(\times\) 10\(^{11}\)

1.0 \(\times\) 10\(^{15}\)

Initial gas phase number concentration of ozone (cm\(^{-3}\))

\([\text{OL}]_{\text {b,0}}\)

1.0 \(\times\) 10\(^{19}\)

2.0 \(\times\) 10\(^{21}\)

Initial bulk number concentration of oleic acid (cm\(^{-3}\))

  1. 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