Dynamics of Lignin: Molecular Dynamics and Neutron Scattering

Le résumé fourni par la source

Lignocellulosic biomass, the major secondary plant cell wall material, is composed of three major components: lignin, hemicellulose, and cellulose. Lignin, an amorphous polymer that does not have a regular chemical structure, plays an important role in the recalcitrance of lignocellulosic biomass to deconstruction by blocking enzymatic hydrolysis of cellulose. Understanding the dynamics of the lignin polymer is fundamental for technological applications involving biomass, such as biofuel production. In this chapter, we discuss the application of neutron scattering and molecular dynamics simulation used to study the atomic dynamics of lignin. We focus on glass transition, the technologically most important dynamical processes of lignin. We explain the impact of environmental factors, such as hydration and temperature, on the magnitude of lignin atomic fluctuations and the relaxation processes at temperatures above and below the glass transition temperature.

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