Properties and catalytic activity of magnetic and acidic ionic liquids: Experimental and molecular simulation
作者:Cunshan Zhou、Xiaojie Yu、Haile Ma、Xingyi Huang、Henan Zhang、Jian Jin
DOI:10.1016/j.carbpol.2014.01.071
日期:2014.5
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 C(n)mim/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 degrees C, the decomposition was started up at 250/310-480-810 degrees 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 C(n)mimCl ionic liquid was studied using the density functional theory calculations and the results that C(3)mim/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. (C) 2014 Elsevier Ltd. All rights reserved.