Next Article in Journal
Preparation and Application of Starch/Polyvinyl Alcohol/Citric Acid Ternary Blend Antimicrobial Functional Food Packaging Films
Previous Article in Journal
Buckling a Semiflexible Polymer Chain under Compression
Article Menu
Issue 3 (March) cover image

Export Article

Open AccessArticle
Polymers 2017, 9(3), 101; doi:10.3390/polym9030101

Exploring the Limits of the Geometric Copolymerization Model

1
Life Sciences Group, Centrum Wiskunde & Informatica, Science Park 123, 1089XG Amsterdam, The Netherlands
2
Chair of Bioinformatics, Friedrich Schiller University, Ernst-Abbe-Platz 2, 07743 Jena, Germany
3
Laboratory of Organic and Macromolecular Chemistry (IOMC), Friedrich Schiller University Jena, Humboldtstr. 10, 07743 Jena, Germany
4
Jena Center for Soft Matter (JCSM), Friedrich Schiller University Jena, Philosophenweg 7, 07743 Jena, Germany
*
Author to whom correspondence should be addressed.
Academic Editor: Sébastien Perrier
Received: 4 February 2017 / Revised: 7 March 2017 / Accepted: 8 March 2017 / Published: 13 March 2017
View Full-Text   |   Download PDF [713 KB, uploaded 13 March 2017]   |  

Abstract

The geometric copolymerization model is a recently introduced statistical Markov chain model. Here, we investigate its practicality. First, several approaches to identify the optimal model parameters from observed copolymer fingerprints are evaluated using Monte Carlo simulated data. Directly optimizing the parameters is robust against noise but has impractically long running times. A compromise between robustness and running time is found by exploiting the relationship between monomer concentrations calculated by ordinary differential equations and the geometric model. Second, we investigate the applicability of the model to copolymerizations beyond living polymerization and show that the model is useful for copolymerizations involving termination and depropagation reactions. View Full-Text
Keywords: copolymer kinetics; copolymer fingerprint; Markov model; Monte Carlo simulations copolymer kinetics; copolymer fingerprint; Markov model; Monte Carlo simulations
Figures

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

Supplementary material

Scifeed alert for new publications

Never miss any articles matching your research from any publisher
  • Get alerts for new papers matching your research
  • Find out the new papers from selected authors
  • Updated daily for 49'000+ journals and 6000+ publishers
  • Define your Scifeed now

SciFeed Share & Cite This Article

MDPI and ACS Style

Engler, M.S.; Scheubert, K.; Schubert, U.S.; Böcker, S. Exploring the Limits of the Geometric Copolymerization Model. Polymers 2017, 9, 101.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics

1

Comments

[Return to top]
Polymers EISSN 2073-4360 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top