高岭石/二甲基亚砜插层复合物结构模拟

Structure Modeling of Dimethylsulfoxide Intercalating into Kaolinite

以张家口宣化高岭土为原料,制备高岭石/二甲基亚砜(dimethylsulfoxide,DMSO)插层复合物。利用X射线衍射(X-ray diffraction,XRD),傅里叶红外光谱(Fourier transform infrared spectracopy,FT-IR),热重-差热分析(Thermogravimetric-differential thermal analysis,TG-DTA)对制备的复合物进行表征。其中,XRD和FT-IR显示二甲基亚砜分子已进入高岭石层间,使其层间距由0.718 nm增加至1.130 nm。TG-DTA结果表明插层复合物热相变经历以下三个阶段:二甲基亚砜分子脱嵌(约199℃),脱羟基(约522℃),高岭石重结晶(997℃)。此外,依据表征结果推测二甲基亚砜分子在高岭石层间存在形式,构建了复合物体系的结构模型,并对高岭石/二甲基亚砜插层作用机理进行了讨论。

Kaolinite / DMSO intercalation complex was prepared with kaolin in Xuanhua,Zhangjiakou. Xray diffraction（XRD）,Fourier transform infrared spectracopy（FT-IR）,Thermogravimetric-differential thermal analysis（TG-DTA） were used to characterize the complex. Of which,XRD and FT-IR show that DMSO has already insert into interlayer of kaolinite,and the interlayer spacing expands from 0. 718 nm to1. 130 nm. TG-DTA shows thermal transformation of complex goes through three phases de-intercalation of DMSO（about 199 ℃）,dehydroxylation（about 522 ℃）,recrystallization of kaolinite（997 ℃）.Moreover,the existing form of DMSO in the kaolinite layers has been surmised according to the characterization results,the structural modeling is constructed in terms of molecular dynamics simulation,and the kaolinite / DMSO intercalating mechanism is discussed.