Mechanism of synthesis of anatase TiO2 pigment from low concentration of titanyl sulfuric–chloric acid solution under hydrothermal hydrolysis,Journal of the Chinese Chemical Society

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Mechanism of synthesis of anatase TiO2 pigment from low concentration of titanyl sulfuric–chloric acid solution under hydrothermal hydrolysis
Journal of the Chinese Chemical Society ( IF 1.6 ) Pub Date : 2019-07-17 , DOI: 10.1002/jccs.201900071
Ming Tian _{1,

2} , Yahui Liu _{1,

2} , Weijing Wang _{1,

2} , Wei Zhao _{1,

2} , Desheng Chen _{1,

2} , Lina Wang _{1,

2} , Hongxin Zhao _{1,

2} , Fancheng Meng _{1,

2} , Yulan Zhen _{1,

2} , Zongyuan Hu ₂ , Tao Qi _{1,

2}

Affiliation

In order to investigate the influence of Cl⁻/SO₄²⁻ molar ratios and hydrolysis temperature on the hydrolysis process and TiO₂ pigment, H₂TiO₃ 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 H₂TiO₃ 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](H₂O)₃Cl(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 SO₄²⁻) competition reaction to explain the formation of anatase‐type H₂TiO₃, and the crystal growth direction of H₂TiO₃ was also confirmed to be a (OA) and b (OB).

中文翻译：

水热水解低浓度钛酰硫酸-盐酸溶液合成锐钛矿型TiO2颜料的机理。

为了调查Cl组成的影响^- / SO ₄^2-的水解过程和TiO摩尔比和水解温度₂颜料，H ₂的TiO ₃用由水热水解的低浓度的氧钛硫酸-氯酸溶液制备。在最佳水解条件下，获得了1.5–2.2μm的H ₂ TiO ₃样品。掺杂和煅烧后，锐钛矿型TiO ₂颜料表现出优异的性能：着色力（TCS）和蓝相指数（SCX）的消色力分别为1,429和4.07。由于水解是该过程中的重要步骤，因此将结构简化为Ti [OH]（H ₂ O）₃ Cl（SO ₄）的周期性结构，以模拟团簇结构。基于实验结果和密度泛函理论（DFT）计算，水解机制推测是阴离子的处理（OH ^-，氯^-和SO ₄^2-）反应的竞争来解释锐钛矿型H的形成₂的TiO ₃，以及H ₂ TiO的晶体生长方向₃也被确认为a（OA）和b（OB）。

更新日期：2020-02-14

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