新型酞菁催化剂的制备及降解染料性能

大规模降解中性条件下的染料废水是染料废水处理的难点之一。设计、制备了新型羟基取代酞菁钴（CoTHPc）催化剂，对结构进行了表征。使用Siesta软件模拟了CoTHPc与酸性红G（AR1）结合的能量变化，并以氨基酞菁钴（CoTAPc）为参照。结果表明：中性条件下CoTHPc对AR1的吸附能力优于CoTAPc，CoTAPc与AR1的结合能力在氢氧根离子协助下大幅提升。研究了不同pH、温度、氧化剂浓度、自由基抑制剂等条件对CoTHPc/H₂O₂体系性能的影响。实验结果显示：CoTHPc最佳催化条件为pH=7.0、T=343 K、20 mmol/（L H₂O₂），CoTAPc最佳催化条件为pH=10、T=354 K、50 mmol/（L H₂O₂），与计算结果相符。CoTHPc/H₂O₂为非羟基自由基催化机理。综上所述：CoTHPc/H₂O₂催化体系能够在中性条件下发挥催化功能，对降解成分复杂的印染废水具有较好的应用前景。

Preparation and catalytic degradation property research of novel phthalocyanine

Large scale degradation of dye wastewater under neutral conditions is one of key difficulties in dye wastewater disposal. A novel hydroxyl-substituted cobalt phthalocyanine (CoTHPc) catalyst was synthesized and characterized by NMR and high resolution mass spectrometry. The binding energies of CoTHPc and amino phthalocyanine cobalt compund (CoTAPc) with acid red G (AR1) were simulated by Siesta software. The results showed that the adsorption capacity of CoTHPc with AR1 was better than that of CoTAPc under neutral conditions. The binding ability of CoTAPc to AR1 is greatly enhanced within the existence of hydroxide radical. The effects on the performances of the CoTHPc/H₂O₂ and CoTAPc/H₂O₂ systems by different pH, temperature, oxidant concentration and isopropanol were investigated as well as the degradation mechanism. The results showed that the optimal catalytic conditions for CoTHPc were pH=7.0, T=343 K, and 20 mmol/(L H₂O₂), and the optimal catalytic conditions for CoTAPc were pH=10, T=354 K, and 50 mmol/(L H₂O₂). The results also released that isopropanol as a free radical inhibitor does not stop or inhibit the catalytic oxidation reaction, so both CoThPc/H₂O₂ and CoTAPc/H₂O₂ systems are non-hydroxyl radical mechanisms. In summary, the CoTHPc/H₂O₂ catalytic system is one of feasible solutions for the degradation of complex dye wastewater under neutral conditions and has a great application prospect for complex printing and dyeing wastewater.