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Photocatalytic Degradation of Alachlor over Titania-Reduced Graphene Oxide Nanocomposite: Intrinsic Kinetic Model and Reaction Pathways
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2021-12-14 , DOI: 10.1021/acs.iecr.1c04304 Beatriz Villajos 1 , Álvaro Tolosana-Moranchel 2 , Moisés Canle 3 , Andrea Farina 4 , Antonio Gascó 5 , Sara Mesa-Medina 1 , Marisol Faraldos 1 , Daphne Hermosilla 5, 6 , Ana Bahamonde 1
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2021-12-14 , DOI: 10.1021/acs.iecr.1c04304 Beatriz Villajos 1 , Álvaro Tolosana-Moranchel 2 , Moisés Canle 3 , Andrea Farina 4 , Antonio Gascó 5 , Sara Mesa-Medina 1 , Marisol Faraldos 1 , Daphne Hermosilla 5, 6 , Ana Bahamonde 1
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An intrinsic kinetic model based on a proposed reaction photomechanism explicitly dependent on the volumetric rate of photon absorption (VRPA) has been performed and analyzed for the photocatalytic degradation of alachlor in water. A titania-reduced graphene oxide nanocomposite (HBK TiO2–rGO) was used as the photocatalyst. The proposed degradation pathway was elucidated addressing H* – abstraction, HO* substitution, C–C scission, C–N bond scission, and dealkylation reactions. A suitable kinetic model has successfully been validated by fitting the obtained experimental data to reproduce the evolution of alachlor photodegradation at different HBK-rGO loadings. After simplification, the proposed kinetics were adjusted to a reasoned simplified model of 1–2 parameters, showing very good fitting between predicted and experimental values, as denoted by the resulting lower root-square-mean errors. Finally, the synthesized nanocomposite addressed very good stability and durability applied to the degradation of alachlor by photo-oxidation along six consecutive cycles of reuse.
中文翻译：
二氧化钛还原氧化石墨烯纳米复合材料光催化降解甲草胺：本征动力学模型和反应途径
基于明确依赖于光子吸收体积速率 (VRPA) 的拟议反应光机制的固有动力学模型已被执行并分析了甲草胺在水中的光催化降解。二氧化钛还原氧化石墨烯纳米复合材料（HBK TiO 2 -rGO）用作光催化剂。阐明了拟议的降解途径，以解决 H * –抽象、HO* 取代、C-C 断裂、C-N 键断裂和脱烷基化反应。通过拟合获得的实验数据以重现不同 HBK-rGO 负载下甲草胺光降解的演变，已成功验证了合适的动力学模型。简化后，建议的动力学被调整为 1-2 个参数的合理简化模型，显示预测值和实验值之间的拟合非常好，如由此产生的较低的均方根误差所示。最后，合成的纳米复合材料解决了非常好的稳定性和耐久性，适用于通过光氧化降解甲草胺，沿着六个连续的重复使用循环。
更新日期：2021-12-29
中文翻译：
二氧化钛还原氧化石墨烯纳米复合材料光催化降解甲草胺：本征动力学模型和反应途径
基于明确依赖于光子吸收体积速率 (VRPA) 的拟议反应光机制的固有动力学模型已被执行并分析了甲草胺在水中的光催化降解。二氧化钛还原氧化石墨烯纳米复合材料（HBK TiO 2 -rGO）用作光催化剂。阐明了拟议的降解途径，以解决 H * –抽象、HO* 取代、C-C 断裂、C-N 键断裂和脱烷基化反应。通过拟合获得的实验数据以重现不同 HBK-rGO 负载下甲草胺光降解的演变，已成功验证了合适的动力学模型。简化后，建议的动力学被调整为 1-2 个参数的合理简化模型，显示预测值和实验值之间的拟合非常好，如由此产生的较低的均方根误差所示。最后，合成的纳米复合材料解决了非常好的稳定性和耐久性，适用于通过光氧化降解甲草胺，沿着六个连续的重复使用循环。
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