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Grafting-induced structural ordering of lactide chains. / Glova, Artyom D.; Melnikova, Sofya D.; Mercurieva, Anna A.; Larin, Sergey V.; Lyulin, Sergey V.

In: Polymers, Vol. 11, No. 12, 01.12.2019.

Research output: Contribution to journalArticlepeer-review

Harvard

Glova, AD, Melnikova, SD, Mercurieva, AA, Larin, SV & Lyulin, SV 2019, 'Grafting-induced structural ordering of lactide chains', Polymers, vol. 11, no. 12. https://doi.org/10.3390/polym11122056

APA

Glova, A. D., Melnikova, S. D., Mercurieva, A. A., Larin, S. V., & Lyulin, S. V. (2019). Grafting-induced structural ordering of lactide chains. Polymers, 11(12). https://doi.org/10.3390/polym11122056

Vancouver

Glova AD, Melnikova SD, Mercurieva AA, Larin SV, Lyulin SV. Grafting-induced structural ordering of lactide chains. Polymers. 2019 Dec 1;11(12). https://doi.org/10.3390/polym11122056

Author

Glova, Artyom D. ; Melnikova, Sofya D. ; Mercurieva, Anna A. ; Larin, Sergey V. ; Lyulin, Sergey V. / Grafting-induced structural ordering of lactide chains. In: Polymers. 2019 ; Vol. 11, No. 12.

BibTeX

@article{56965adef75146438a2de7c17f2ee841,
title = "Grafting-induced structural ordering of lactide chains",
abstract = "{\textcopyright} 2019 by the authors. Licensee MDPI, Basel, Switzerland. The structure of a grafted layer of lactide chains in the Ĝdry brushĝ regime immersed in a melt of chemically similar polymer was examined while varying graft lengths. To this end, microsecond atomistic molecular dynamics simulations were performed. Almost no influence of graft length on the fraction of the grafted chains backfolded to the grafting surface was found. However, a structural ordering was unexpectedly observed in the system when the length of the grafted lactide chains was close to approximately 10 Kuhn segments. This ordering of the grafts is characterized by the formation of helical fragments whose structure is in good agreement with the experimental data for the ± crystal of the lactide chains. Both the backfolding and the structural ordering may be viewed as the initial stage of the crystallization of the layer of grafted lactide chains. In contrast to the known behavior for conventional polymer brushes in the Ĝdry brushĝ regime, the structure of the grafted lactide chains can be either amorphous or ordered, depending on the graft length N and the grafting density σ when their product Nσ is fixed.",
keywords = "Dipolar chains, Lactide, Molecular dynamics, Nanocomposites, Polymer brushes, Simulations, Structural ordering",
author = "Glova, {Artyom D.} and Melnikova, {Sofya D.} and Mercurieva, {Anna A.} and Larin, {Sergey V.} and Lyulin, {Sergey V.}",
year = "2019",
month = dec,
day = "1",
doi = "10.3390/polym11122056",
language = "English",
volume = "11",
journal = "Polymers",
issn = "2073-4360",
publisher = "MDPI AG",
number = "12",

}

RIS

TY - JOUR

T1 - Grafting-induced structural ordering of lactide chains

AU - Glova, Artyom D.

AU - Melnikova, Sofya D.

AU - Mercurieva, Anna A.

AU - Larin, Sergey V.

AU - Lyulin, Sergey V.

PY - 2019/12/1

Y1 - 2019/12/1

N2 - © 2019 by the authors. Licensee MDPI, Basel, Switzerland. The structure of a grafted layer of lactide chains in the Ĝdry brushĝ regime immersed in a melt of chemically similar polymer was examined while varying graft lengths. To this end, microsecond atomistic molecular dynamics simulations were performed. Almost no influence of graft length on the fraction of the grafted chains backfolded to the grafting surface was found. However, a structural ordering was unexpectedly observed in the system when the length of the grafted lactide chains was close to approximately 10 Kuhn segments. This ordering of the grafts is characterized by the formation of helical fragments whose structure is in good agreement with the experimental data for the ± crystal of the lactide chains. Both the backfolding and the structural ordering may be viewed as the initial stage of the crystallization of the layer of grafted lactide chains. In contrast to the known behavior for conventional polymer brushes in the Ĝdry brushĝ regime, the structure of the grafted lactide chains can be either amorphous or ordered, depending on the graft length N and the grafting density σ when their product Nσ is fixed.

AB - © 2019 by the authors. Licensee MDPI, Basel, Switzerland. The structure of a grafted layer of lactide chains in the Ĝdry brushĝ regime immersed in a melt of chemically similar polymer was examined while varying graft lengths. To this end, microsecond atomistic molecular dynamics simulations were performed. Almost no influence of graft length on the fraction of the grafted chains backfolded to the grafting surface was found. However, a structural ordering was unexpectedly observed in the system when the length of the grafted lactide chains was close to approximately 10 Kuhn segments. This ordering of the grafts is characterized by the formation of helical fragments whose structure is in good agreement with the experimental data for the ± crystal of the lactide chains. Both the backfolding and the structural ordering may be viewed as the initial stage of the crystallization of the layer of grafted lactide chains. In contrast to the known behavior for conventional polymer brushes in the Ĝdry brushĝ regime, the structure of the grafted lactide chains can be either amorphous or ordered, depending on the graft length N and the grafting density σ when their product Nσ is fixed.

KW - Dipolar chains

KW - Lactide

KW - Molecular dynamics

KW - Nanocomposites

KW - Polymer brushes

KW - Simulations

KW - Structural ordering

UR - http://www.scopus.com/inward/record.url?scp=85079091530&partnerID=8YFLogxK

U2 - 10.3390/polym11122056

DO - 10.3390/polym11122056

M3 - Article

AN - SCOPUS:85079091530

VL - 11

JO - Polymers

JF - Polymers

SN - 2073-4360

IS - 12

ER -

ID: 128032033