lindemann.rst

rmgpy.kinetics.Lindemann

rmgpy.kinetics.Lindemann

The Lindemann model qualitatively predicts the falloff of some simple pressure-dependent reaction kinetics. The formulation is as follows:

$$k(T,P) = k_\infty(T) \left[ \frac{P_\mathrm{r}}{1 + P_\mathrm{r}} \right]$$

where

$$P_\mathrm{r} &= \frac{k_0(T)}{k_\infty(T)} [\mathrm{M}]$$$$k_0(T) &= A_0 T^{n_0} \exp \left( - \frac{E_0}{RT} \right)$$$$k_\infty(T) &= A_\infty T^{n_\infty} \exp \left( - \frac{E_\infty}{RT} \right)$$

and [M] ≈ P/RT is the concentration of the bath gas. The Arrhenius expressions k₀(T) and k_∞(T) represent the low-pressure and high-pressure limit kinetics, respectively.