非线性映照遗传算法在稀土元素掺杂改性纳米TiO2构效关系中的应用

TiO₂具有很好的紫外吸收和高催化活性。作为一种廉价和环境友好的光催化剂,纳米TiO2在废水处理、空气净化和太阳能电池等方面都具有潜在应用。稀土掺杂可以有效提高纳米二氧化钛的光催化降解活性。为筛选出优良的催化剂,必须对稀土元素掺杂改性纳米TiO2构效关系进行深入研究。作为一种良好的数据挖掘手段—非线性映照技术,有利于分类识别和优化控制,本文首次将其应用于光催化纳米TiO2材料XRD参数与活性关系方面的研究。首先,通过溶胶-凝胶法制备了不同稀土的不同掺杂量的纳米TiO2光催化剂,进行了XRD测试,然后在紫外光源下对降解甲基橙光催化活性进行了测定。并从XRD参数进行非线性映照分析出物以类聚的活性结果。结果表明,掺杂后TiO2纳米粒子晶粒尺寸变小,且掺杂量越大,晶粒尺寸越小。在掺杂量为0.05mol%时,样品K值最大,即催化活性最高,且活性顺序为Eu>Y>Ce。灰色映照结果与光催化活性测定的结果吻合得很好。非线性映照利用遗传算法工具箱可很好地解决催化剂的构效关系。数据挖掘既是方法又是手段,它能帮助我们研究出有效的催化剂,因此应予以珍视并加以应用。

The application of nonlinear mapping genetic algorithm on structure-effective relationship of RE-doped TiO2 photocatalysts

Titanium dioxide (TiO 2 ) is of strong UV absorption and catalytic performance. As a kind of cheap and environment friendly photocatalyst, the TiO 2 particles (especially its nanoparticles) have been considered as potential materials in some fields, such as sewage treatment, air purification and solar cells. Based on the experimental results, RE doping TiO 2 was found to enhance the activity of TiO 2 for some organic pollutant photodegradations. In order to select proper catalyzer, structure-activity/property relationship for RE-doped TiO 2 must be further researched. As a effective data mining method, Nonlinear mapping genetic algorithm was propitious to classification and optimum control, which was firstly used to study the structure-effective relationship of RE-doped TiO 2 photocatalysts in this paper. Rare-earth (RE)-doped TiO 2 photocatalysts were prepared by doping samarium ions into TiO 2 nanoparticles in a sol-gel process. The samples were characterized using X-ray diffraction (XRD). Their photocatalytic activities were evaluated by photodegradation of methyl orange (MO) in water under UV light irradiation. Finally, nonlinear mapping analysis based on XRD parameters was carried out. It was demonstrated that the RE-doped TiO 2 photocatalysts had the smaller grain sizes. And the higher the doping concentration, the smaller the grain size. When the doping concentration was 0.05 mol%, it had the highest activity with the sequence of catalytic reactivity Eu > Y> Ce. It was also demonstrated that nonlinear mapping results had a good coincidence with the experimental ones. Nonlinear mapping genetic algorithm maybe a good way to to solve the structure-effective relationship of RE-doped TiO 2 photocatalysts. Data mining can help us to develop effective photocatalysts and should gain new respect and application.