In the present study, the sol–gel method is used to synthesize pure TiO₂, TiO₂–ZnO and TiO₂–ZnO–NiO (TZN) nanoparticles. The study aims at investigating the photocatalytic efficiency of the synthesized nanoparticles used in order to remove methyl orange (MO, as a model water pollutant) dye, as exposed to black light radiation. Moreover, it also addresses the factors that may positively or negatively affect the efficiency of the photocatalytic process. XRD, SEM and DRS analyses were used to determine the nanocatalysts’ properties. The response surface method (RSM) was used to investigate the effect of four operating parameters [including the catalyst loading (TZN), basic dye concentration, pH and H₂O₂ concentration] and optimize the photocatalytic process of MO dye degradation in 60 min. Maximum dye removal percentage was obtained under the best operating conditions (catalyst loading = 0.3 g/l, dye concentration = 15 mg/l, pH 3 and H₂O₂ concentration = 15 ml/l). The high correlation coefficient (R² = 0.9930) showed that there is an acceptable level of consistency between the experimental data and the resulted MO dye degradation predictions using the response surface model. Appropriate modules were used to carry out the two-dimensional steady-state computational fluid dynamic (CFD) simulation of the advanced oxidation process in the photocatalytic reactor. A quasi-first-order kinetic equation derived from the Langmuir–Hinshelwood model (k_app = 0.015 min⁻¹) was used to account for the photocatalytic process of MO dye degradation. The value of R² = 0.8865 indicated the significant consistency between the simulated CFD concentration values and experimental data.

在本研究中，溶胶-凝胶法用于合成纯 TiO ₂、TiO ₂ -ZnO 和 TiO ₂ -ZnO-NiO (TZN) 纳米颗粒。该研究旨在研究用于去除暴露于黑光辐射的甲基橙（MO，作为模型水污染物）染料的合成纳米颗粒的光催化效率。此外，它还解决了可能对光催化过程的效率产生积极或消极影响的因素。XRD、SEM 和 DRS 分析用于确定纳米催化剂的性能。响应面法 (RSM) 用于研究四个操作参数 [包括催化剂负载 (TZN)、碱性染料浓度、pH 值和 H ₂ O ₂浓度]并在60分钟内优化MO染料降解的光催化过程。在最佳操作条件下获得最大染料去除百分比（催化剂负载 = 0.3 g/l，染料浓度 = 15 mg/l，pH 3 和 H ₂ O ₂浓度 = 15 ml/l）。高相关系数 ( R ²  = 0.9930) 表明实验数据与使用响应面模型得出的 MO 染料降解预测之间存在可接受的一致性水平。使用适当的模块对光催化反应器中的高级氧化过程进行二维稳态计算流体动力学 (CFD) 模拟。从朗缪尔导出的准一级动力学方程-Hinshelwood 模型（k _app  = 0.015 min ^-1）用于解释 MO 染料降解的光催化过程。R ²  = 0.8865的值表明模拟 CFD 浓度值与实验数据之间的显着一致性。