关键词: 高岭石;二甲基亚砜;插层复合物;分子动力学模拟

Abstract: Kaolinite/DMSO intercalation complex was prepared with kaolin in Xuanhua, Zhangjiakou. X-ray 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 to 1. 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.

Key words: Kaolinite/DMSO intercalation complex was prepared with kaolin in Xuanhua, Zhangjiakou. X-ray 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 to 1. 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.