Molecular dynamics simulation of bamboo heat treatment with cellulose based on molecular different weight fractions of water

Eight groups of cellulose amorphous region models in which the mass fraction of water was separately 0%, 1%, 2%, 3%, 4%, 5%, 6%, and 7% were established using a molecular dynamics software material studio. The PCFF force field was selected to simulate the molecular dynamics of the model under the co...

Ausführliche Beschreibung