Solvent behavior of an ionic liquid set around a cellulose Iβ crystallite model through molecular dynamics simulations
Author:
Funder
Coordinación de la Investigación Científica
PRODEP-SEP
Publisher
Springer Science and Business Media LLC
Subject
Polymers and Plastics
Link
https://link.springer.com/content/pdf/10.1007/s10570-021-03992-7.pdf
Reference126 articles.
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2. Abe M, Kuroda K, Sato D, Kunimura H, Ohno H (2015) Effects of polarity, hydrophobicity, and density of ionic liquids on cellulose solubility. Phys Chem Chem Phys 17:32276–32282. https://doi.org/10.1039/C5CP05808B
3. Anthony JL, Brennecke JF, Holbrey JD, et al (2002) Physicochemical properties of ionic liquids. In: Wasserscheid P, Welton T (eds) Ionic Liquids in Synthesis. Wiley-VCH Verlag, Weinheim, pp 41–126. https://doi.org/10.1002/3527600701
4. Banks JL, Beard HS, Cao Y et al (2005) Integrated modeling program, applied chemical theory (IMPACT). J Comput Chem 26:1752–1780. https://doi.org/10.1002/jcc.20292
5. Batista MLS, Pérez-Sánchez G, Gomes JRB et al (2015) Evaluation of the GROMOS 56ACARBO force field for the calculation of structural, volumetric, and dynamic properties of aqueous glucose Systems. J Phys Chem B 119:15310–15319. https://doi.org/10.1021/acs.jpcb.5b08155
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