CAMP 1.0.0
Chemistry Across Multiple Phases
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Surface reactions transform gas-phase species into gas-phase products according to a rate that is calculated based on the total exposed surface area of a condensed phase.
For surface reactions of the gas phase species X, the reaction rate is calculated assuming large particles (continuum regime) as:
\[ r_{surface} = k_{surface}\mbox{[X]} \]
where \([\mbox{X}]\) is the gas-phase concentration of species X [ppm] and the rate constant \(k_{surface}\) [1/s] is calculated as:
\[ k_{surface} = \frac{4N_a \pi r^2_e}{\left(\frac{r_e}{D_g} + \frac{4}{v(T)\gamma}\right)} \]
where \(N_a\) is the number concentration of particles [particles \(\mbox{m}^{-3}\)], \(r_e\) is the effective particle radius [m], \(D_g\) is the gas-phase diffusion coefficient of the reactant [ \(\mbox{m}^2\mbox{s}^{-1}\)], \(\gamma\) is the reaction probability [unitless], and v is the mean free speed of the gas-phase reactant:
\[ v = \sqrt{\frac{8RT}{\pi MW}} \]
where R is the ideal gas constant [ \(\mbox{J}\, \mbox{K}^{-1}\, \mbox{mol}^{-1}\)], T is temperature [K], and MW is the molecular weight of the gas-phase reactant [ \(\mbox{kg}\, \mbox{mol}^{-1}\)]
Input data for surface reactions have the following format :
The key-value pairs gas-phase reactant, reaction probability, and aerosol-phase are required. Only one gas-phase reactant is allowed, but multiple products can be present. The key-value pair yield for product species is optional and defaults to 1.0.
The gas-phase reactant species must include properties diffusion coeff [m2 s-1], which specifies the diffusion coefficient in \(\mbox{m}^2\,\mbox{s}^{-1}\), and molecular weight [kg mol-1], which specifies the molecular weight of the species in \(\mbox{kg}\,\mbox{mol}^{-1}\).