TY - JOUR

T1 - Green method for preparation of cellulose nanocrystals using deep eutectic solvent

AU - Smirnov, Michael A.

AU - Sokolova, Maria P.

AU - Tolmachev, Dmitry A.

AU - Vorobiov, Vitaly K.

AU - Kasatkin, Igor A.

AU - Smirnov, Nikolay N.

AU - Klaving, Anastasya V.

AU - Bobrova, Natalya V.

AU - Lukasheva, Natalia V.

AU - Yakimansky, Alexander V.

N1 - Funding Information: Preparation and study of cellulose nanocrystals and molecular dynamic simulations were conducted with a financial support of Russian Ministry of Education and Science within State Contract 14.W03.31.0014 (megagrant). The experimental work was facilitated by the equipment of the Resource Centre for X-ray Diffraction Studies, Centre for Microscopy and Microanalysis, Thermogravimetric and Calorimetric Research Centre, Centre for Optical and Laser Materials Research and Interdisciplinary Resource Centre for Nanotechnology at Saint Petersburg State University and by the Engineering Center of the Saint-Petersburg State Technological Institute (Technical University). Calculations were performed with the use of the resources of the Institute of Macromolecular Compounds and the resources of the Center of collective use “Complex of modelling and data research mega-class facilities” NRC “Kurchatov Institute”. Unique identifier RFMEFI62114X0006. Publisher Copyright: © 2020, Springer Nature B.V. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2020/5/1

Y1 - 2020/5/1

N2 - Abstract: An environment-friendly method for obtaining cellulose nanocrystals (CNC) using deep eutectic solvents (DES) was developed. Formation of highly crystalline CNC with average particle dimensions 20 × 100 × 700 nm was confirmed with SEM and AFM. Molecular dynamics simulations demonstrated that the hydrogen bond interactions of the cellulose hydroxyl groups with the urea C=O group and with the chloride ions were the key factors of the destruction of MCC particles in the process of solvation. The type of cellulose crystal structure (Iβ) and the high degree of crystallinity (about 80% according to Segal method) were preserved during treatment with DES. The ability of the prepared CNC to act as a reinforcing filler was tested by introduction of them into the chitosan-based films plasticized with DES. It was found that addition of 2 wt% of CNC led to an increase in the strength of the films from 11.4 up to 20.4 MPa with a simultaneous increase in the elongation at break. Graphic abstract: [Figure not available: see fulltext.].

AB - Abstract: An environment-friendly method for obtaining cellulose nanocrystals (CNC) using deep eutectic solvents (DES) was developed. Formation of highly crystalline CNC with average particle dimensions 20 × 100 × 700 nm was confirmed with SEM and AFM. Molecular dynamics simulations demonstrated that the hydrogen bond interactions of the cellulose hydroxyl groups with the urea C=O group and with the chloride ions were the key factors of the destruction of MCC particles in the process of solvation. The type of cellulose crystal structure (Iβ) and the high degree of crystallinity (about 80% according to Segal method) were preserved during treatment with DES. The ability of the prepared CNC to act as a reinforcing filler was tested by introduction of them into the chitosan-based films plasticized with DES. It was found that addition of 2 wt% of CNC led to an increase in the strength of the films from 11.4 up to 20.4 MPa with a simultaneous increase in the elongation at break. Graphic abstract: [Figure not available: see fulltext.].

KW - Cellulose nanocrystals

KW - Chitosan

KW - Deep eutectic solvent

KW - Molecular dynamics simulation

KW - Reinforcing

KW - OXIDATION

KW - MIXTURE

KW - MALONIC-ACID

KW - CHITOSAN

KW - HYDROLYSIS

KW - CHOLINE CHLORIDE

KW - AA FORCE-FIELD

KW - DYNAMICS

KW - NANOFIBRILLATION

KW - IONIC LIQUIDS

UR - http://www.scopus.com/inward/record.url?scp=85082122438&partnerID=8YFLogxK

U2 - 10.1007/s10570-020-03100-1

DO - 10.1007/s10570-020-03100-1

M3 - Article

AN - SCOPUS:85082122438

VL - 27

SP - 4305

EP - 4317

JO - Cellulose

JF - Cellulose

SN - 0969-0239

IS - 8

ER -