Combination step catalyst decay

With models for catalyst decay and effectiveness now in hand, the simulation of lignin liquefaction could be achieved given the initial lignin structure (as described earlier) and model compound reaction pathways and kinetics, both thermal and catalytic. Construction of a random polymer, as outlined earlier, began the simulation. This structural information combined with the simulated process conditions to allow calculation of the reaction rate constants, selectivities and associated transition probabilities. The largest rate constant then specified the upper limit of the reaction time step size. 

---