Lignin depolymerization, kinetics

The simulation of lignin liquefaction combined a stochastic interpretation of depolymerization kinetics with models for catalyst deactivation and polymer diffusion. The stochastic model was based on discrete mathematics, which allowed the transformations of a system between its discrete states to be chronicled by comparing random numbers to transition probabilities. The transition probability was dependent on both the time interval of reaction and a global reaction rate constant. McDermott s ( analysis of the random reaction trajectory of the linear polymer shown in Figure 6 permits illustration. 

The simulation model development is divided into three sections. The first discusses the probabilistic modelling of lignin structure, and the use of probability distribution functions to generate representative lignin moieties. The second section details the depolymerization of lignin using stochastic kinetics. The final portion describes the combination of these elements into a Monte Carlo simulation and also presents representative predictions... 

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