Ternary CoFeNi-layered double hydroxide (CoFeNi-LDH) was synthesized and initially applied to activate peroxymonosulfate (PMS) for the degradation of Congo red (CR) and Rhodamine B (RhB). The results show that the CoFeNi-LDH/PMS system can efficiently degrade nearly 100% of 20 mg/L CR or 20 mg/L RhB within 6- and 10-min reaction times, respectively. And the catalyst exhibits higher degradation efficiency on CR than on RhB under identical conditions, which is confirmed by electron clouds of the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) performed by DFT calculations. Quenching tests reveal that SO₄⁻ is the dominant active species participating in the degradation process. Mechanism investigation demonstrates that Co(II)-Co(III)-Co(II) cycle is responsible for activating PMS to generate radicals for dyes degradation. A dynamic kinetic model is successfully developed to simulate the concentration profiles of CR and RhB degradation in CoFeNi-LDH/PMS system. The empirical second order rate constants between SO₄⁻ and CR (k_SO4−/CR), HO and CR (k_OH/CR), SO₄⁻ and RhB (k_SO4−/RhB), HO and RhB (k_HO/RhB) are determined to be 2.47 × 10⁷, 3.44 × 10⁶, 8.39 × 10⁶ and 2.62 × 10⁷ M⁻¹s⁻¹, respectively. In addition, toxic assessment using ECOSAR program suggests that the overall toxicity of CR and RhB decreased after treatment with CoFeNi-LDH/PMS system. Repeating tests and application of CoFeNi-LDH in different water sources give us adequate confidence that the as-synthesized CoFeNi-LDH is favorable for the purification of dye-contaminanted waters in practical.

合成了三元CoFeNi层状双氢氧化物（CoFeNi-LDH），最初将其用于活化过氧单硫酸盐（PMS）以降解刚果红（CR）和若丹明B（RhB）。结果表明，CoFeNi-LDH / PMS系统可以分别在6分钟和10分钟的反应时间内有效降解近100％的20 mg / L CR或20 mg / L RhB。在相同条件下，该催化剂对CR的降解效率比对RhB更高，这可以通过DFT计算得出，具有最高占据分子轨道（HOMO）和最低未占据分子轨道（LUMO）的电子云得以证实。淬火试验表明，SO ₄ ^-是参与降解过程的主要活性物种。机理研究表明，Co（II）-Co（III）-Co（II）循环负责激活PMS生成自由基以降解染料。成功开发了动力学模型来模拟CoFeNi-LDH / PMS系统中CR和RhB降解的浓度分布。SO之间的经验二阶速率常数₄ ^-和CR（ķ _{SO4- / CR}），HO和CR（ķ _{OH / CR}），SO ₄ ^-和罗丹明B（ķ _{SO4- /罗丹明B}），HO和罗丹明B（ķ _{HO / RhB}）确定为2.47×10 ⁷，3.44×10 ⁶，8.39×10 ⁶和2.62×10 ⁷ 中号^-1小号^-1，分别。此外，使用ECOSAR程序进行的毒性评估表明，使用CoFeNi-LDH / PMS系统处理后，CR和RhB的总体毒性降低。重复测试和在不同水源中使用CoFeNi-LDH，使我们有足够的信心，认为合成后的CoFeNi-LDH在实际中有利于纯化被染料污染的水。