Mechanism of synthesis of anatase TiO2 pigment from low concentration of titanyl sulfuric–chloric acid solution under hydrothermal hydrolysis. Issue 2 (17th July 2019)

• Record Type: Journal Article
• Authors: Tian, Ming; Liu, Yahui; Wang, Weijing; Zhao, Wei; Chen, Desheng; Wang, Lina; Zhao, Hongxin; Meng, Fancheng; Zhen, Yulan; Hu, Zongyuan; Qi, Tao
• Is Part Of: Journal of the Chinese Chemical Society. Volume 67:Issue 2(2020)
• Page Start: 277
• Page End: 287
• Publication Date: 2019-07-17
• Subjects: anatase TiO2 pigments -- DFT calculations -- hydrolysis mechanisms -- hydrothermal hydrolysis -- titanyl sulfuric–chloric acid solution; Chemistry -- Periodicals; Electronic journals; 540.5
• DOI: 10.1002/jccs.201900071
• Languages: English
• ISSNs: 0009-4536

Abstract

Abstract: In order to investigate the influence of Cl − /SO4 2− molar ratios and hydrolysis temperature on the hydrolysis process and TiO2 pigment, H2 TiO3 was prepared with a low concentration of titanyl sulfuric–chloric acid solution by hydrothermal hydrolysis. Under the optimal hydrolysis conditions, 1.5–2.2 μm of H2 TiO3 samples were achieved. After doping and calcination, anatase TiO2 pigments demonstrated excellent performance: the achromic ability of tinctorial strength (TCS) and blue phase index (SCX) were 1, 429 and 4.07, respectively. As hydrolysis was a significant step in the process, the structure was simplified to a periodic structure of Ti[OH](H2 O)3 Cl(SO4 ) to simulate the cluster structures. Based on experimental results and density functional theory (DFT) calculation, the hydrolysis mechanism was presumed to be a process of anionic (OH −, Cl − and SO4 2− ) competition reaction to explain the formation of anatase‐type H2 TiO3, and the crystal growth direction of H2 TiO3 was also confirmed to be a (OA) and b (OB). Abstract : Synthesis of qualified anatase TiO2 with pigment standard from low concentration of titanyl sulfuric – chloric acid solution. Preparation of H2 TiO3 intermediate with suitable grain size and agglomerate size by controlling hydrolysis temperature, and concentration of Cl − /SO4 2− anion. The formation mechanism of anatase‐type H2 TiO3 and its corresponding intermediate structures are investigated by DFT calculation.