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使用功能化布朗斯特酸性离子液体水解微晶纤维素 - 比较研究。

Hydrolysis of microcrystalline cellulose using functionalized Bronsted acidic ionic liquids - A comparative study.

机构信息

Department of Chemical Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016, India.

出版信息

Carbohydr Polym. 2016 Jan 1;135:280-4. doi: 10.1016/j.carbpol.2015.08.039. Epub 2015 Aug 22.

Abstract

Cellulose conversion to platform chemicals is required to meet the demands of increasing population and modernization of the world. Hydrolysis of microcrystalline cellulose was studied with SO3H, COOH and OH functionalized imidazole based ionic liquid using 1-butyl-3-methylimidazolium chloride [BMIM]Cl as a solvent. The influence of temperature, time, acidity of ionic liquids and catalyst loading was studied on hydrolysis reaction. The maximum %TRS yield 85%, was obtained at 100°C and 90min with 0.2g of SO3H functionalized ionic liquid. UV-vis spectroscopy using 4-nitro aniline as an indicator was performed to find out the Hammett function of ionic liquid and acidity trends are as follows: SO3H>COOH>OH. Density functional theory (DFT) calculations were performed to optimize the ionic liquid and their conjugate bases at B3LYP 6-311G++ (d, p) level using Gaussian 09 program. Theoretical findings are in agreement with the experimental results.

摘要

为了满足世界人口增长和现代化的需求,需要将纤维素转化为平台化学品。本文使用 SO3H、COOH 和 OH 功能化的咪唑基离子液体,在 1-丁基-3-甲基氯化咪唑[BMIM]Cl 溶剂中研究了微晶纤维素的水解。考察了温度、时间、离子液体酸度和催化剂用量对水解反应的影响。在 100°C 和 90min 下,用 0.2g SO3H 功能化离子液体可获得最大 %TRS 收率 85%。使用 4-硝基苯胺作为指示剂的 UV-vis 光谱法用于确定离子液体的哈米特函数,酸度趋势如下:SO3H>COOH>OH。使用 Gaussian 09 程序,在 B3LYP 6-311G++(d,p)水平上进行了密度泛函理论(DFT)计算,以优化离子液体及其共轭碱。理论结果与实验结果一致。

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