A novel polymeric solid acid catalyst consisting of dual polymer chains for biomass hydrolysis and subsequent dehydration was successfully synthesized. A poly (styrene sulfonic acid) (PSSA) polymer chain is immobilized on a substrate and used to catalyze biomass hydrolysis and its subsequent dehydration reactions. A neighboring poly (vinyl imidazolium chloride) ionic liquid (PIL) polymer chain is grafted to help solubilize lignocellulosic biomass and enhance the catalytic activity. The immobilized polymeric catalyst demonstrates over 97% total reducing sugar (TRS) and 70% 5-hydroxymethyfurfural (HMF) yields for cellulose hydrolysis and dehydration in [EMIM]Cl respectively. This solid acid catalyst is highly efficient, stable, reusable and environmentally friendly. In order to understand its catalytic activity and further optimize its performance, the interactions among the PSSA, PIL polymer chains and cellulose were investigated using classical Molecular Dynamics (MD) simulations. In addition, the free energies associated with polymer chain interactions were determined using metadynamics (MTD) simulations. Our results demonstrate that the properties of polymer chains and their interactions play a crucial role in their catalytic activities. Additional improvement for catalytic activity by substitution or copolymerization is suggested. This solid acid catalyst can be tuned and potentially be used for many other acid catalyzed reactions and conversions.

Design of polymeric solid acid catalyst for efficient biofuel production

249th National Meeting (2015)

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