数据挖掘在稀土掺杂纳米TiO_2结构与光催化活性关系中的应用  

Application of Data Mining in the Relationship between Structure and Photocatalytic Activity of Rare-Earth Doped Nano-Titanium Dioxide

作　　者：李峰[1,2] 卞贺 郑经堂[1] 胡燕[1] 

机构地区：[1]中国石油大学(华东)重质油国家重点实验室,山东青岛266555 [2]滨州市环境保护科学技术研究所,山东滨州256600

出　　处：《化学与生物工程》2012年第4期68-71,共4页Chemistry & Bioengineering

基　　金：国家自然科学基金资助项目(20776159);中央高校基本科研业务专项基金资助项目(09CX05009A);山东省自然科学基金资助项目(ZR2009FL028)

摘　　要：采用溶胶-凝胶法制备了不同稀土、不同掺杂量的纳米TiO2光催化剂,对其进行了XRD分析,并在紫外光源下对其降解甲基橙的光催化活性进行了测定;并藉此建立了构效关系,进行了数据挖掘。结果表明,随着掺杂量(Ln/Ti摩尔比率,Ln=Eu、Ce、Y)的增加,稀土掺杂改性的纳米TiO2的衍射峰逐渐宽化、强度逐渐减弱;最佳掺杂量为0.05%,掺杂量过多时,光催化效果反而下降;用多元逐步回归分析挖掘数据样本间的联系,发现结构参数(晶胞参数a、晶格畸变ε、晶粒尺寸D)与光催化剂的表观速率常数k间存在良好的相关性,其关系式为:k=-57.6879+37.5097a+68.3791ε+0.0193 D-29.6588ε2,相关系数大于0.99,说明该模型具有良好的稳定性和预测能力。Rare-earth doped nano-TiO2 photocatalysts with different rare-earth ions and different doping amounts were prepared by sol-gel method.The products were characterized using X-ray diffraction（XRD）.Their photocatalytic activities were evaluated by photodegradation of methyl orange in water under UV light irradiation.Structure-effective relationship of rare-earth doped nano-TiO2 photocatalysts was established and data mining was carried out.It was demonstrated that the increase of doping amount（molar fraction of Ln/Ti,Ln=Eu,Ce,Y） caused the XRD peaks to broaden and weaken.And the optimal doping amount was 0.05%.A non-linear mathematic model was identified by analyzing the experimental results through multiple stepwise regress.Then the relationship between XRD data and the rate constant（k） of the photocatalysts was studied.There was a general linear relationship between them.The equation could be expressed as follows：k=-57.6879＋37.5097a＋68.3791ε＋0.0193D-29.6588ε2.The correlation coefficient was larger than 0.99.It had been demonstrated that the model had good stability and predictability.

关 键 词：二氧化钛 溶胶-凝胶法 光催化活性 降解 数据挖掘 

分 类 号：O643.3[理学—物理化学] X703[理学—化学]