(63a) A Study for Kinetic Modeling and Experimental Validation of Lignin Fractionation with 4-Phenolsulfonic Acid for Effective Lignocellulosic Biomass Utilization
AIChE Annual Meeting
Monday, November 14, 2022 - 8:00am to 8:15am
In this sense, 4-phenolsulfonic acid (PSA) has been considered as an effective fractionation reagent . The amphiphilic property of PSA makes effective lignin fractionation under mild conditions. In our previous study , the technical feasibility of PSA in biomass fractionation was conceptionally proven by experiments; however, the development of the systematic model and process optimization is still necessary for maximizing process efficiency. To achieve these objectives, our model was initially developed based on a series of experiments. That is, underlying kinetics of the reactions were firstly examined from the experimental data with different biomass dimensions and reaction temperatures using aspen wood chip as bulk biomass and PSA as a solvent. Afterward, the kinetic Monte Carlo (kMC) algorithm was combined with a governing equation, i.e., mass balance equation of major component (e.g., cellulose, lignin), to model a sophisticated series of phenomena. By using the above-developed multiscale model, one can track not only macroscopic phenomena (e.g., mass/energy transfer) but also microscopic events (e.g., tracing porosity and cell wall thickness); therefore, the biomass properties can extensively be understood throughout the entire process period. Especially, the model includes consideration for delignification and de/repolymerization processes of lignin fragments in the reacting solution to overcome underutilization of the lignin.
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