Multiscale modeling of solute diffusion in triblock copolymer membranes

We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (SCFT) to predict the structure of the self-assembled, solvated membrane and on-lattice kinetic Monte Carlo (kMC) simulati...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	The Journal of chemical physics 2023-01, Vol.158 (2), p.024905-024905
Hauptverfasser:	Cooper, Anthony J., Howard, Michael P., Kadulkar, Sanket, Zhao, David, Delaney, Kris T., Ganesan, Venkat, Truskett, Thomas M., Fredrickson, Glenn H.
Format:	Artikel
Sprache:	eng
Schlagworte:	Block copolymers Computer Simulation Diffusion Diffusivity Field theory Membranes Modelling Morphology Polymer coatings Polymers - chemistry Random walk Self consistent fields Self-assembly Simulation Simulation models Solutions Solvation Solvents - chemistry Spatial distribution
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!