Properties and catalytic activity of magnetic and acidic ionic liquids: experimental and molecular simulation.
The exploitation of dual functional magnetic and acidic ionic liquids (MAILs) for hydrolysis of cellulose to platform chemicals can solve some practical challenges through easy separation of products and efficient catalyst recyclability. In this work, seven Cnmim/FeCl4 MAILs were synthesized and investigated with combined experimental and molecular dynamics. The MAILs contained FeCl4(-) anions and exhibited a typical hard magnetic materials behavior with rather strong magnetic susceptibilities. These MAILs were stable up to 250-310°C, the decomposition was started up at 250/310-480-810°C in two steps with the formation of the undecomposed residue. The Gibbs energy for the reaction of glucose/xylose conversion to 5-hydroxymethylfurfural by metal chlorides in the CnmimCl ionic liquid was studied using the density functional theory calculations and the results that C3mim/WCl3 may be the most hopeful catalyst. The MAILs have the potential to open up promising new catalytic systems because of their easy product separation and efficient catalyst recyclability.
School of Food and Biological Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China; Jiangsu Provincial Research Center of Bio-process and Separation Engineering of Agri-products, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China; Jiangsu Provincial Key Laboratory for Physical Processing of Agricultural Products, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China; Heddle Initiative Research Unit, Advanced Science Institute, RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan.
Cunshan
C
Zhou
School of Food and Biological Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China.
Xiaojie
X
Yu
School of Food and Biological Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China; Jiangsu Provincial Research Center of Bio-process and Separation Engineering of Agri-products, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China; Jiangsu Provincial Key Laboratory for Physical Processing of Agricultural Products, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China. Electronic address: mhl@ujs.edu.cn.
Haile
H
Ma
School of Food and Biological Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China.
Xingyi
X
Huang
School of Food and Biological Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China.
Henan
H
Zhang
School of Food and Biological Engineering, Jiangsu University, 301 Xuefu Road, Zhenjiang 212013, China.
Jian
J
Jin
Catalytic activity; Dual functional ionic liquids; Molecular dynamics; Platform chemical; Recyclability