CAS OpenIR  > 湿法冶金清洁生产技术国家工程实验室
Preparation of rutile TiO2 by hydrolysis of TiOCl2 solution: experiment and theory
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
Source PublicationRSC ADVANCES
AbstractTitanium 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).
WOS HeadingsScience & Technology ; Physical Sciences
Indexed BySCI
WOS Research AreaChemistry
WOS SubjectChemistry, Multidisciplinary
Funding OrganizationMajor State Basic Research Development Program of China(2013CB632604) ; National Science Foundation for Distinguished Young Scholars of China(51125018) ; National Natural Science Foundation of China(51402303 ; 21403243 ; 51504230 ; 21506233)
WOS IDWOS:000379350100084
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Affiliation1.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
Recommended Citation
GB/T 7714
Liu, Yahui,Shao, Dawei,Wang, Weijing,et al. Preparation of rutile TiO2 by hydrolysis of TiOCl2 solution: experiment and theory[J]. RSC ADVANCES,2016,6(64):59541-59549.
APA Liu, Yahui.,Shao, Dawei.,Wang, Weijing.,Yi, Lingyun.,Chen, Desheng.,...&Cao, Chengbo.(2016).Preparation of rutile TiO2 by hydrolysis of TiOCl2 solution: experiment and theory.RSC ADVANCES,6(64),59541-59549.
MLA Liu, Yahui,et al."Preparation of rutile TiO2 by hydrolysis of TiOCl2 solution: experiment and theory".RSC ADVANCES 6.64(2016):59541-59549.
Files in This Item:
File Name/Size DocType Version Access License
Preparation of rutil(1261KB)期刊论文出版稿限制开放CC BY-NC-SAApplication Full Text
Related Services
Recommend this item
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Liu, Yahui]'s Articles
[Shao, Dawei]'s Articles
[Wang, Weijing]'s Articles
Baidu academic
Similar articles in Baidu academic
[Liu, Yahui]'s Articles
[Shao, Dawei]'s Articles
[Wang, Weijing]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Liu, Yahui]'s Articles
[Shao, Dawei]'s Articles
[Wang, Weijing]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.