Université De Lorraine, Ecole Nationale Supérieure des Industries Chimiques, Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274), 1 rue Grandville, 54000 Nancy, France.
Université De Lorraine, Ecole Nationale Supérieure des Industries Chimiques, Laboratoire Réactions et Génie des Procédés (UMR CNRS 7274), 1 rue Grandville, 54000 Nancy, France.
Carbohydr Polym. 2015 Aug 20;127:316-24. doi: 10.1016/j.carbpol.2015.03.042. Epub 2015 Mar 30.
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.
随着人们对利用木质纤维素生物质生产可再生运输燃料的兴趣日益增加，生物质预处理的新方法引起了相当大的关注。将生物质纤维素转化为水溶性糖是目前全球最迫切的需求之一。离子液体的使用被描述为该领域的一个新的潜在可行的发展。事实上，以前的工作表明碳水化合物在一些基于咪唑的离子液体中是可溶的。为了更好地理解这些系统的行为，理论量子化学计算已成为实验测量的补充。这项工作的目的是使用从头算计算研究葡萄糖或纤维素与基于咪唑的离子液体之间相互作用的基本性质，并将这些结果与实验数据进行比较。此外，还进行了特征化研究，以调查纤维素结构在离子液体溶解和再生过程中的变化。
