Structure and dynamics of stereo-regular poly(methyl-methacrylate) melts through atomistic molecular dynamics simulations

Author:

F. Behbahani Alireza12345,Vaez Allaei S. Mehdi6478ORCID,H. Motlagh Ghodratollah12345,Eslami Hossein91011128ORCID,Harmandaris Vagelis A.1314151617ORCID

Affiliation:

1. Advanced Polymer Materials and Processing Lab

2. School of Chemical Engineering

3. College of Engineering

4. University of Tehran

5. Tehran 11155-4563

6. Department of Physics

7. Tehran 14395-547

8. Iran

9. Department of Chemistry

10. College of Sciences

11. Persian Gulf University

12. Boushehr 75168

13. Department of Mathematics and Applied Mathematics

14. University of Crete

15. Heraklion GR-71110

16. Greece

17. Institute of Applied and Computational Mathematics

Abstract

Various dynamical modes, conformations of different parts of the chain, and local packing characteristics are analyzed in detail for PMMA stereo-isomers.

Funder

Ministry of Science Research and Technology

University of Tehran

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

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