Enzymatic Hydrolysis of Lignocellulosic Biomass: Structural Features, Process Aspects, Kinetics, and Computational Tools

This manuscript provides a comprehensive review of the enzymatic hydrolysis of lignocellulosic biomass, emphasizing how chemical composition, structural features, inhibitory compounds, and process configurations collectively influence the conversion of structural polysaccharides into fermentable sugars. Variability among herbaceous, woody, and residual biomasses results in differences in cellulose, hemicellulose, lignin content, and crystallinity, which strongly affect enzyme accessibility. The review discusses key inhibitory mechanisms, including nonproductive cellulase adsorption onto lignin, interference from phenolic derivatives and pretreatment by-products, and inhibition caused by accumulating mono- and oligosaccharides. Process configurations such as SHF, SSF, PSSF, and consolidated bioprocessing are compared, with SSF often achieving superior performance by mitigating end-product inhibition. The manuscript also highlights the growing relevance of computational modeling and simulation tools, which support kinetic prediction, the evaluation of transport limitations, and the optimization of operating conditions in high-solids systems. Additionally, recent advances in artificial intelligence are presented as powerful approaches for modeling nonlinear hydrolysis behavior, estimating kinetic parameters, identifying rate-limiting steps, and improving predictive accuracy in complex bioprocesses. Overall, the integration of experimental insights with advanced modeling, simulation, and AI-based strategies is essential for overcoming current limitations and enhancing the technical feasibility and industrial competitiveness of lignocellulosic bioconversion.