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ICCAS OpenIR  > 分子纳米结构与纳米技术实验室  > 期刊论文
题名: Preparation of rutile TiO2 by hydrolysis of TiOCl2 solution: experiment and theory
作者: Liu, Yahui1, 2; Shao, Dawei1, 2, 3; Wang, Weijing1, 2; Yi, Lingyun1, 2; Chen, Desheng1, 2; Zhao, Hongxin1, 2; Wu, Jingyi4, 5; Qi, Tao1, 2; Cao, Chengbo3
刊名: RSC ADVANCES
发表日期: 2016
卷: 6, 期:64, 页:59541-59549
收录类别: SCI
英文摘要: Titanium slag with a perovskite phase (CaTiO3) is difficult to use in traditional titanium dioxide production. Herein, we demonstrate that HCl can decompose CaTiO3 with a high acidolysis ratio of >97 wt% to obtain a TiOCl2 solution. With subsequent hydrolysis and calcination, rutile TiO2 was synthesised in one step without crystalline-structure transformation. As hydrolysis of the TiOCl2 solution to prepare metatitanic acid (H2TiO3) is an essential step in the process, a simulated pure TiOCl2 solution (prepared from TiCl4 and H2O) was confirmed to have the same structure in water as HCl-treated CaTiO3 slag by Raman spectroscopy. The TiOCl2 solution was also concluded to have the Ti compound cluster of (Ti2O2)(H2O)(4)Cl-4, based on DFT calculations from the Raman data and the curve fit for the hydrolysis ratio. By elucidating the relationship between the H2TiO3 particle size and the concentration of Ti4+ and HCl, we identified the nuclear energy as -19.46 kJ mol(-1). Moreover, a complete scheme for the production of rutile TiO2, induced by TiOCl2 solution hydrolysis, was proposed. Periodic structures show the feasibility of the following transformation occurring through a simple structural rearrangement: (Ti2O2)(H2O)(4)Cl-4 (in solution)-Ti(OH)(H2O)(2)Cl-3 (with addition of HCl)-Ti(OH)(2)Cl-2 (1-dimentional growth and removal of HCl)-rutile-type Ti(OH)(2)Cl-2 (stack)-rutile TiO2 (with removal of HCl).
语种: 英语
内容类型: 期刊论文
URI标识: http://ir.iccas.ac.cn/handle/121111/35605
Appears in Collections:分子纳米结构与纳米技术实验室_期刊论文

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作者单位: 1.Natl Engn Lab Hydromet Cleaner Prod Technol, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, Key Lab Green Proc & Engn, Beijing 100190, Peoples R China
3.Shandong Univ, Sch Chem & Chem Engn, Jinan 250061, Peoples R China
4.Inst Chem, Natl Lab Mol Sci, Beijing 100190, Peoples R China
5.Beijing Chinese Acad Sci CAS, Key Lab Mol Nanostruct & Nanotechnol, Beijing 100190, Peoples R China
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