THEORETICAL STUDY ON INTERACTIONS BETWEEN IONIC LIQUID AND CHITIN/CHITOSAN/CELLULOSE
ABSTRACT 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/chi...
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| Autores principales: | , , |
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2017
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| Materias: | |
| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072017000403668 |
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| Sumario: | ABSTRACT 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. |
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