Reuter-Scheffler Model¶
For more information, see file ReuterScheffler.py
.
The RS model includes the following elementary reactions:
\begin{align}
\text{CO}_{(\text{g})} + \text{*-brg} & \overset{k_\text{CO}^\text{brg}}{\longleftrightarrow} \text{CO}^\text{*}\text{-brg} &\qquad \text{'CO_brg_adsorption'} \\
\text{CO}_{(\text{g})} + \text{*-cus} & \overset{k_\text{CO}^\text{cus}}{\longleftrightarrow} \text{CO}^\text{*}\text{-cus} &\qquad \text{'CO_cus_adsorption'} \\[6mm]
\text{O}_{2(\text{g})} + 2\text{*-brg} & \overset{k_{\text{O}_2}^\text{brg,brg}}{\longleftrightarrow} \text{O}^\text{*}\text{-brg} + \text{O}^\text{*}\text{-brg} &\qquad \text{'O_brg_adsorption'}\\
\text{O}_{2(\text{g})} + 2\text{*-cus} & \overset{k_{\text{O}_2}^\text{cus,cus}}{\longleftrightarrow} \text{O}^\text{*}\text{-cus} + \text{O}^\text{*}\text{-cus} &\qquad \text{'O_cus_adsorption'}\\
\text{O}_{2(\text{g})} + \text{*-cus} + \text{*-brg} & \overset{k_{\text{O}_2}^\text{cus,brg}}{\longleftrightarrow} \text{O}^\text{*}\text{-cus} + \text{O}^\text{*}\text{-brg} &\qquad \text{'O_cus_O_brg_adsorption'}\\[6mm]
\text{CO}^\text{*}\text{-brg} + \text{O}^\text{*}\text{-cus} & \overset{k_\text{oxi}}{\longleftrightarrow} \text{*}\text{-brg} + \text{*}\text{-cus} + \text{CO}_{2(\text{g})} &\qquad \text{'CO_brg_O_cus_oxidation'} \\
2\text{O}^\text{*}\text{-brg} & \overset{k_\text{oxi}}{\longleftrightarrow} 2\text{*}\text{-brg} + \text{CO}_{2(\text{g})} &\qquad \text{'CO_brg_O_brg_oxidation'} \\
2\text{O}^\text{*}\text{-cus} & \overset{k_\text{oxi}}{\longleftrightarrow} 2\text{*}\text{-cus} + \text{CO}_{2(\text{g})} &\qquad \text{'CO_cus_O_cus_oxidation'} \\
\text{CO}^\text{*}\text{-cus} + \text{O}^\text{*}\text{-brg} & \overset{k_\text{oxi}}{\longleftrightarrow} \text{*}\text{-cus} + \text{*}\text{-brg} + \text{CO}_{2(\text{g})} &\qquad \text{'CO_cus_O_brg_oxidation'} \\
\end{align}