Departamento de Química-ICEx, Universidade Federal de Minas Gerais, Av. Antônio Carlos 6627, Pampulha, (31.270-901) Belo Horizonte, Minas Gerais, Brazil.
J Phys Chem A. 2011 Apr 7;115(13):2719-26. doi: 10.1021/jp111369f. Epub 2011 Mar 15.
In this paper we report experimental and theoretical studies concerning the thermal behavior of some organotin-Ti(IV) oxides employed as precursors for TiO(2)/SnO(2) semiconducting based composites, with photocatalytic properties. The organotin-TiO(2) supported materials were obtained by chemical reactions of SnBu(3)Cl (Bu = butyl), TiCl(4) with NH(4)OH in ethanol, in order to impregnate organotin oxide in a TiO(2) matrix. A theoretical model was developed to support experimental procedures. The kinetics parameters: frequency factor (A), activation energy, and reaction order (n) can be estimated through artificial intelligence methods. Genetic algorithm, fuzzy logic, and Petri neural nets were used in order to determine the kinetic parameters as a function of temperature. With this in mind, three precursors were prepared in order to obtain composites with Sn/TiO(2) ratios of 0% (1), 15% (2), and 30% (3) in weight, respectively. The thermal behavior of products (1-3) was studied by thermogravimetric experiments in oxygen.
本文报告了有关一些有机锡-Ti(IV)氧化物的热行为的实验和理论研究,这些氧化物被用作具有光催化性能的 TiO(2)/SnO(2)半导体基复合材料的前体。有机锡-TiO(2)负载材料是通过 SnBu(3)Cl(Bu = 丁基)和 TiCl(4)与乙醇中的 NH(4)OH 的化学反应制备的,以便将有机锡氧化物浸渍到 TiO(2)基质中。开发了一个理论模型来支持实验程序。通过人工智能方法可以估计动力学参数:频率因子 (A)、活化能和反应级数 (n)。遗传算法、模糊逻辑和 Petri 神经网络被用于确定温度作为函数的动力学参数。有鉴于此,分别制备了三种前体,以获得 Sn/TiO(2)重量比分别为 0%(1)、15%(2)和 30%(3)的复合材料。通过在氧气中进行的热重实验研究了产物(1-3)的热行为。