Abstract
The study on the lignocellulosic material conversion into bio-based platform chemicals, such as levulinic acid (LA), is one of the most promising routes to promote the development of advanced biorefineries. In this work, a dynamic mechanistic model is developed to simulate the LA production from lignocellulosic material. A wide operating range is used to estimate the parameters of the reaction kinetics. Because multi-parameter estimation problem is complex, a genetic algorithm-based optimization procedure is used to determine the optimum parameters values. Measurements are obtained for various reaction times (0 - 45 min) temperatures (150 – 200 °C) and acid concentration of 7.0 % w/v H2SO4. The calculated reaction rates for the state variables, concentrations of LA, glucose, 5-hydroxymethylfurfural and humins are used to construct the dynamic mechanistic model. The prediction of measured state variables was particularly accurate, as determined by the root mean square error (RMSE) and correlation coefficient (R2). Therefore, a satisfactory agreement between experimental LA yield of 57.2 mol% and computed LA yield of 56.4 mol% was achieved (at 200 °C, 7.0 % w/v H2SO4, 45 min). The proposed methodology drives the systematic development of an industrially reliable dynamic mechanistic model for LA production from sugarcane bagasse as a means to increase the LA yields in the biorefinery.
