A Monte Carlo simulation of tracer diffusion in amorphous polymers

Author:

Mansuri Ali12ORCID,Vora Paras1,Feuerbach Tim3,Winck Judith1ORCID,Vermeer A. W. P.4ORCID,Hoheisel Werner3ORCID,Kierfeld Jan5ORCID,Thommes Markus1ORCID

Affiliation:

1. Department of Biochemical and Chemical Engineering, TU Dortmund University, 44227 Dortmund, Germany

2. INVITE GmbH, 51061 Cologne, Germany

3. Bayer AG, 51368 Leverkusen, Germany

4. ENVU, 2022 ES Deutschland GmbH, 40789 Monheim, Germany

5. Department of Physics, TU Dortmund University, 44221 Dortmund, Germany

Abstract

Employing continuous-time random walk, we discuss different aspects of tracer diffusion in amorphous polymers focusing on the waiting time distribution and the fractional exponent governing the relation between rotational times and waiting times.

Publisher

Royal Society of Chemistry (RSC)

Reference69 articles.

1. P.Neogi , Diffusion in Polymers; Plastics Engineering , CRC Press , Boca Raton, FL , 1996

2. H.Fujita , Diffusion in Polymer-Diluent Systems , Fortschritte Der Hochpolymeren-Forschung , Springer-Verlag , Berlin/Heidelberg , 2006 , pp. 1–47

3. S. E. M.Selke and J. D.Culter , Mass Transfer in Polymeric Packaging Systems: Sorption, Diffusion, Permeation, and Shelf Life , Plastics Packaging , Carl Hanser Verlag GmbH & Co. KG , München , 2016 , pp. 353–393

4. Controlled Drug Delivery Systems: Current Status and Future Directions

5. Molecular Dynamics and Diffusion in Amorphous Solid Dispersions Containing Imidacloprid

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