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用光活性化硫酸盐降解基于桑的染料:实验和计算研究
Carlos Pedro G do Nascimento1, Mateus S M A Costa1, Jessica M A Freire2
1Departamento de Química Analítica e Físico-Química, Universidade Federal do Ceará, Fortaleza, CE, 60455-900, Brazil.
概括
光活性硫酸盐有效降解诸如罗达胺B之类的桑染料.降解在pH值3.0时发生得更快,形成无害的副产品,但完全矿化需要更多的时间.
科学领域:
- 环境化学环境化学
- 水处理技术水处理技术
- 光催化作用的光催化
背景情况:
- 水污水中的工业染料对环境构成风险.
- 有效地去除残留染料是一个重大挑战.
- 桑染料是常见的污染物,需要有效的降解方法.
研究的目的:
- 为了评估Rhodamine B,Eosin Y和Sodium Fluorescein的降解,使用光活性硫酸盐.
- 研究pH对染料降解动力学和通路的影响.
- 阐明降解机制,包括激进和非激进的途径.
主要方法:
- 使用光活性硫酸盐在pH值3.0和11.0的降解实验.
- 根据伪第一阶反应模型进行动力分析.
- 气相色谱-质谱 (GC-MS) 用于识别降解产品.
- 密度函数理论 (DFT) 计算以确定HOMO-LUMO能量差距和福井函数.
主要成果:
- 在pH值3.0的情况下,在40分钟内实现了丁染料的完全脱色.
- 75%的矿化需要180分钟,这表明低分子量酸,CO2和H2O的形成.
- 激素 (硫酸盐和基激素) 和非激素通路都导致紫外线照射和黑暗中的降解.
- 较低的HOMO-LUMO能量差距与更快的染料降解率相关.
- 福井的功能分析表明,酸或酸部分的pH依赖的基因攻击部位.
结论:
- 光活性硫酸盐是一种可行的方法,用于降解废水中的桑染料.
- 优化pH值对于高效的降解和矿化至关重要.
- 通过DFT计算了解降解途径有助于预测染料反应性.
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