■以苯胺为前体,通过原位聚合方法成功合成了由聚苯胺(PANI)和氧化铜(CuO)组成的纳米复合光催化剂。用X射线衍射(XRD)对合成的纳米复合材料进行了表征,傅里叶变换红外光谱(FTIR),紫外可见光谱(UV-Vis),零电荷点(pHPZC)的测定,和扫描电子显微镜(SEM)。在可见光下光降解孔雀石绿(MG)染料的背景下,评估了PANI-CuO纳米复合材料的光催化效率。孔雀石绿,一种常用于纺织和水产养殖业的合成染料,是一种重要的污染物,因为它有毒,诱变,和致癌特性,使其从水资源中去除对环境和人类健康至关重要。人工污染MG染料的蒸馏水用作测试介质。综合研究了影响光降解效率的参数。这些参数包括催化剂用量,反应时间,初始染料浓度,和pH。结果表明,MG染料的降解效率随着时间的延长呈上升趋势,催化剂用量,和pH值,同时与初始染料浓度呈相反关系。初始浓度为20mgL-1时,使用1.6gL-1的催化剂剂量,在pH6下的反应时间为180分钟,降解率为97%。此外,评估了催化剂的可重复使用性,揭示了连续五个周期的一致表现。
■采用密度泛函理论(DFT)来优化PANI的结构,PANI-CuO,以及它们各自通过染料相互作用形成的复合物,采用高斯软件。这些计算采用了B3LYP/6-311G++(d,p)在以水作为溶剂的水性环境中设定的基准。使用一级和二级动力学模型分析了孔雀石绿降解的动力学。
UNASSIGNED: A nanocomposite photocatalyst consisting of polyaniline (PANI) and copper oxide (CuO) was successfully synthesized through an in-situ polymerization approach using aniline as the precursor. The synthesized nanocomposite was characterized using X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), UV-visible spectroscopy (UV-Vis), determination of the point of zero charge (pHPZC), and scanning electron microscopy (SEM). The photocatalytic efficiency of the PANI-CuO nanocomposite was evaluated in the context of photodegrading Malachite Green (MG) dye under visible light. Malachite Green, a synthetic dye commonly used in the textile and aquaculture industries, is a significant contaminant due to its toxic, mutagenic, and carcinogenic properties, making its removal from water resources crucial for environmental and human health. Distilled water artificially contaminated with MG dye was used as the medium for testing. The parameters influencing the photodegradation efficiency were comprehensively investigated. These parameters included catalyst dosage, reaction time, initial dye concentration, and pH. The results of this study indicate that the degradation efficiency of MG dye displayed an upward trend with time, catalyst dosage, and pH while exhibiting a converse relationship with the initial dye concentration. A degradation rate of 97% was achieved with an initial concentration of 20 mg L-1, employing a catalyst dose of 1.6 g L-1 at pH 6 for a reaction time of 180 min. Furthermore, the reusability of the catalyst was assessed, revealing consistent performance over five consecutive cycles.
UNASSIGNED: Density functional theory (DFT) was employed to optimize the structures of PANI, PANI-CuO, and their respective complexes formed through dye interaction, employing Gaussian software. These calculations employed the B3LYP/6-311G + + (d,p) basis set in an aqueous environment with water serving as the solvent. The kinetics of Malachite Green degradation were analyzed using both first and second-order kinetic models.