Skip to main content
Log in

Computer Synthesis of Network Polymers

  • PHYSICAL CHEMISTRY
  • Published:
Doklady Physical Chemistry Aims and scope Submit manuscript

Abstract

A model and the principle of constructing a corresponding computer program are proposed for the electronic synthesis of polymer networks with a specified range of glass transition temperatures have been proposed for the first time. A repeating fragment of the network is synthesized from the smallest basic fragments, which are connected to each other using a control matrix of interactions. As an example, there are presented 27 chemical structures of the cross-linked points, 26 basic fragments for constructing polymer chains connecting the cross-linked points, and five repeating fragments of polymer networks with glass transition temperatures falling within the range 450–480 K.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

REFERENCES

  1. Askadskii, A.A., Physical Properties of Polymers. Prediction and Control, Amsterdam: Gordon and Breach, 1996.

    Google Scholar 

  2. Askadskii, A.A., Computational Materials Science of Polymers, Cambridge: Cambridge Int. Sci. Publ., 2003.

    Google Scholar 

  3. Askadskii, A.A., Analysis of the Structure and Properties of High-Cross-linked Polymer Networks, Paris: Harwood Acad. Publ., 1992.

    Google Scholar 

  4. Askadskii A.A. and Kondrashchenko, V.I., Komp’yuternoe materialovedenie polimerov (Computer Materials Science of Polymers), vol. 1: Atomno-molekulyarnyi uroven’ (Atomic and Molecular Level), Moscow: Nauchnyi Mir, 1999.

  5. Van Krevelen, D.W., Properties of Polymers, 3d ed., Amsterdam: Elsevier, 1990.

    Google Scholar 

  6. Bicerano, J., Prediction of Polymer Properties, New York: Marcel Dekker, 2002.

    Book  Google Scholar 

Download references

Funding

This work was supported by the Ministry of Science and Higher Education of the Russian Federation (project “Theoretical and experimental design of new composite materials to ensure safety during the operation of buildings and structures under conditions of man-made and biogenic threats” no. FSWG-2020-0007 and the subject of the State Assignment of INEOS RAS no. 0085-2019-0004).

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to A. A. Askadskii.

Additional information

Translated by G. Kirakosyan

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Askadskii, A.A., Matseevich, T.A. Computer Synthesis of Network Polymers. Dokl Phys Chem 494, 151–158 (2020). https://doi.org/10.1134/S0012501620100012

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0012501620100012

Keywords:

Navigation