Abstract
Lignocellulosic biomass is a key feedstock for the development of future sustainable technologies that utilize the potential of biomass as a source of carbon-based materials. Lignocellulosic biomass is the main component of cell walls in plants, and it is basically composed by cellulose, hemicellulose, and lignin. Among the three, lignin is of special interest, since it is the second most abundant natural polymer after cellulose and the main natural source of aromatic compounds. Effective lignin valorization is therefore a key challenge in the development of integrated biorefineries, and many strategies are being researched to successfully utilize it. Within this framework, this chapter presents a revision of current state of the art in multiscale modeling of lignocellulosic biomass (especially lignin), as well as an overview of molecular simulations that have helped understanding lignocellulosic biomass structure to develop new depolymerization strategies to enable the production of biomass-derived materials.
| Original language | English |
|---|---|
| Title of host publication | Handbook of Materials Modeling |
| Subtitle of host publication | Applications: Current and Emerging Materials, Second Edition |
| Publisher | Springer International Publishing |
| Pages | 1627-1648 |
| Number of pages | 22 |
| ISBN (Electronic) | 9783319446806 |
| ISBN (Print) | 9783319446790 |
| DOIs | |
| Publication status | Published - 1 Jan 2020 |