Theoretical study of lignin swelling in atomistic details

In this project vi use molecular dynamics (MD) simulations to investigate hygroscopic properties of various lignins. Our hope is that structure and dynamics on the atomistic level of details will complement existing macromechanical models.
The goal is to test existing atomistic models of lignin subject to its interactions with water. The output of the project could be useful for applied scientists and for industrial players in their search for advanced lignin-based materials.