stickingcoefficient.rst

rmgpy.kinetics.StickingCoefficient

rmgpy.kinetics.StickingCoefficient

The Sticking coefficient class uses an Arrhenius-like expression to determine the sticking coefficient γ of a species on a surface.

$$\gamma = A (T/T_0)^{n} \exp\left(-\frac{E_\mathrm{a}}{RT}\right)$$

Above, A is the preexponential factor, T₀ is the reference temperature, n is the temperature exponent, and E_a is the activation energy.

The sticking coefficient is then used to calculate the rate coefficient k using the following expression:

$$k = \frac{\gamma}{\Gamma} \sqrt{\frac{RT}{2 \pi W}}$$

where Γ is the surface site density and W is the molecular weight of the gas phase species.