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Poly(lactic acid)‐based nanocomposites filled with cellulose nanocrystals with modified surface: all‐atom molecular dynamics simulations
Author(s) -
Glova Artem D,
Falkovich Stanislav G,
Larin Sergey V,
Mezhenskaia Daria A,
Lukasheva Natalia V,
Nazarychev Victor M,
Tolmachev Dmitrii A,
Mercurieva Anna A,
Kenny José M,
Lyulin Sergey V
Publication year - 2016
Publication title -
polymer international
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.592
H-Index - 105
eISSN - 1097-0126
pISSN - 0959-8103
DOI - 10.1002/pi.5102
Subject(s) - nanocomposite , materials science , polymer , surface modification , cellulose , lactic acid , chemical engineering , nanocrystal , molecular dynamics , polymer nanocomposite , nanoparticle , polymer chemistry , composite material , nanotechnology , chemistry , computational chemistry , biology , bacteria , engineering , genetics
Bio‐nanocomposites of poly(lactic acid) ( PLA ) filled with cellulose with oligolactide ( OLA ) chains grafted to its surface are simulated using all‐atom molecular dynamics with various OLA grafting densities.