Evaluation of copolymer composition homogeneity using mathematical modeling methods
https://doi.org/10.26907/2542-064X.2025.4.728-738
Abstract
This article introduces an innovative method for quantifying the degree of composition homogeneity in copolymers using mathematical modeling techniques. Applicable to copolymers for which the mechanism of microstructure formation can described in terms of the Markov chains, the method consists in obtaining a set of shares of unit sequences of a given length from a high-resolution NMR spectrum (set A) and then finding, through mathematical modeling of the Markov matrix, transient probabilities in order to build a model of a polymer chain containing such a set of shares of unit sequences (set B) that matches, as close as possible, set A. The dispersion resulting from the comparison of sets A and B is proposed as a quantitative criterion for the degree of composition homogeneity.
About the Authors
Y. P. Sokolov
Scientific Research Institute of Synthetic Rubber named after Academician S.V. Lebedev
Россия
Competing Interests:
Россия
Yuri P. Sokolov, Cand. Sci. (Chemistry), Leading Researcher, Laboratory of Fluoromonomers
St. Petersburg
Competing Interests:
The authors declare no conflicts of interest
S. A. Kulachenkov
Scientific Research Institute of Synthetic Rubber named after Academician S.V. Lebedev
Россия
Competing Interests:
Россия
Sergey A. Kulachenkov, Senior Researcher, Laboratory of Fluoromonomers
St. Petersburg
Competing Interests:
The authors declare no conflicts of interest
V. A. Lovchikov
Scientific Research Institute of Synthetic Rubber named after Academician S.V. Lebedev
Россия
Competing Interests:
Россия
Vladimir A. Lovchikov, Dr. Sci. (Chemistry), Full Professor, Chief Researcher, Laboratory of Fluoromonomers
St. Petersburg
Competing Interests:
The authors declare no conflicts of interest
G. A. Emel’yanov
Scientific Research Institute of Synthetic Rubber named after Academician S.V. Lebedev
Россия
Competing Interests:
Россия
Gennadii A. Emel’yanov, Dr. Sci. (Chemistry), Head of the Laboratory of Fluoromonomers
St. Petersburg
Competing Interests:
The authors declare no conflicts of interest
N. N. Ilyina
Solomenko Institute of Transport Problems, Russian Academy of Sciences
Россия
Competing Interests:
Россия
Natalya N. Ilyina, Researcher, Laboratory of Ecology of Transport Systems
St. Petersburg
Competing Interests:
The authors declare no conflicts of interest
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Review
For citations:
Sokolov Y.P., Kulachenkov S.A., Lovchikov V.A., Emel’yanov G.A., Ilyina N.N. Evaluation of copolymer composition homogeneity using mathematical modeling methods. Uchenye Zapiski Kazanskogo Universiteta Seriya Estestvennye Nauki. 2025;167(4):728-738. (In Russ.) https://doi.org/10.26907/2542-064X.2025.4.728-738
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