Theoretical study on interactions between ionic liquid and chitin/chitosan/cellulose

• Autores: Renqing Lü, Jin Lin, Xin Zhao
• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 62, Nº. 4, 2017, págs. 3668-3676
• Idioma: inglés
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• Resumen

  • In order to deepen understanding the interactions between ionic liquid and chitin/chitosan/cellulose at the molecular level, we have performed a study on the electronic structures, topological properties, nonconvalent interactions between 1-ethyl-3-methyl imidazolium chloride and chitin/chitosan/cellulose by using density functional theory. The results indicate that interactions between chitin/chitosan/cellulose and 1-ethyl-3-methyl imidazolium chloride are stronger that the intra-interaction of chitin/chitosan/cellulose, implying that chitin/chitosan/cellulose can dissolve in 1-ethyl-3-methyl imidazolium chloride.