Characterization Of Straw Supermolecule

Straw became gradually the focus of research field of biomass due to its wider distribution,higher annual yield,higher economic benefit and so on.Straw pyrolysis was one of important methods for biomass energy utilization.Studying on its mechanism was the key to development of biomass energy.Straw supermolecule characterization was premise of studying on the straw pyrolysis mechanism.In this paper,structural models of cellulose, hemicellulose,lignin and straw supermolecule were established,density functional thoery(DFT) and statistical thermodynamics were adopted to analyse intermolecular interaction forces,explain macroscopical physical characteristics from microcosmic domain, and study pyrolysis charateristics of polymers in straw supermolecule,so as to creat theoretical foundation for the study of straw pyrolysis mechanism.