title: Experimental and theoretical study of carbohydrate-ionic liquid interactions.
abstract: With increasing interest in the use of lignocellulosic biomass for the production of renewable transportation fuels, new approaches for biomass pretreatment have been of considerable interest. The conversion of biomass cellulose to water-soluble sugars is currently one of the most intensive demands worldwide. The use of ionic liquids has been described as a new potentially viable development in this area. Indeed, previous work indicates that carbohydrates are soluble in some imidazolium based ionic liquids. For a better understanding of the behavior of such systems, theoretical quantum chemical calculation have become complementarities of experimental measurements. The goal of this work is to investigate the fundamental natures of the interaction between glucose or cellulose and imidazolium based ionic liquids using ab initio calculations and comparing these results with experimental data. Furthermore, a characterization study was made to investigate the changes in the cellulose structure during the process of solubility and regeneration with ionic liquids.
authors.affiliation: Université De Lorraine, Ecole Nationale Supérieure des Industries Chimiques, Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274), 1 rue Grandville, 54000 Nancy, France.
authors.forename: El-Sayed R E
authors.initials: el-SR
authors.lastname: Hassan
authors.affiliation: Université De Lorraine, Ecole Nationale Supérieure des Industries Chimiques, Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274), 1 rue Grandville, 54000 Nancy, France. Electronic address: fabrice.mutelet@univ-lorraine.fr.
authors.forename: Fabrice
authors.initials: F
authors.lastname: Mutelet
authors.affiliation: Université De Lorraine, Ecole Nationale Supérieure des Industries Chimiques, Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274), 1 rue Grandville, 54000 Nancy, France.
authors.forename: Mohammed
authors.initials: M
authors.lastname: Bouroukba
mesh_terms: D005947:Glucose / Q000737:chemistry; D007093:Imidazoles / Q000737:chemistry; D052578:Ionic Liquids / Q000737:chemistry*; D008031:Lignin / Q000737:chemistry*; D008956:Models, Chemical; D009943:Organophosphorus Compounds / Q000737:chemistry; D012995:Solubility
chemical_list: D007093:Imidazoles; D052578:Ionic Liquids; D009943:Organophosphorus Compounds; C036909:lignocellulose; C032627:methylphosphonic acid; D008031:Lignin; D005947:Glucose
keywords: Ab initio calculations; Cellulose; Glucose; Ionic liquids