softsimu
PLA-PHB blends
Snapshot from an atomistic molecular dynamics (MD) simulation of polylactide (PLA) and polyhydroxybutyrate (PHB) blend. The full simulation time was over a microsecond.
The simulations show that PLA and PHB are miscible. More interestingly, however, the simulations show the existence of two glass transitions in the blends: 1) at the scale of a few Kuhn lengths and 2) second transition at a longer time scale. Thus, the miscibility of the blends depends on the length scale.
Reference:
Scale-Dependent Miscibility of Polylactide and polyhydroxybutyrate: Molecular Dynamics Simulations, A. Glova, S. Falkovich, S. Dmitrienko, A. Lyulin, S. Larin, V. Nazaraychev, Mikko Karttunen, S. Lyulin, Macromolecules, 51, 552-563 (2018).
PLA-PHB blends
Snapshot from an atomistic molecular dynamics (MD) simulation of polylactide (PLA) and polyhydroxybutyrate (PHB) blend. The full simulation time was over a microsecond.
The simulations show that PLA and PHB are miscible. More interestingly, however, the simulations show the existence of two glass transitions in the blends: 1) at the scale of a few Kuhn lengths and 2) second transition at a longer time scale. Thus, the miscibility of the blends depends on the length scale.
Reference:
Scale-Dependent Miscibility of Polylactide and polyhydroxybutyrate: Molecular Dynamics Simulations, A. Glova, S. Falkovich, S. Dmitrienko, A. Lyulin, S. Larin, V. Nazaraychev, Mikko Karttunen, S. Lyulin, Macromolecules, 51, 552-563 (2018).