Probing structural and chemical properties of cellulose

This talk will highlight results from recent research into cellulosic biomass structure, recalcitrance, and pretreatment. Challenges encountered during the conversion of biomass to biofuels are critically linked to the uncertainties of the physical properties of the feedstock. In particular, a better understanding is how cellulose, an assembly of polymers of glucose, can be effectively isolated and disassembled to glucose will allow one to address the factors preventing an efficient fuel economy based on cellulosic biomass conversion. We have quantified the relative interplay between stacking and hydrogen bonding interactions that give rise to the underlying stability of cellulose. Additionally, all-atom and coarse-grained computations under various pretreatment conditions provide valuable clues on rational procedure for the efficient degradation of cellulose.