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\(^{-3}\)) |