双分子与三分子反应途径对H2O2与低物种以及对废水回收的影响
Zonghao Luo1,2, Wenjing Zhou3, Ying Jiang1,2
1Institute of Environmental Engineering, School of Metallurgy and Environment, Central South University, Changsha 410083, China.
Environmental science & technology
|December 28, 2023
概括
这项研究阐明了先进的氧化技术中过氧化 (H2O2) 和低物种之间的反应动力学. 了解这些机制可以优化微污染物去除的水资源回收.
科学领域:
- 环境化学环境化学
- 水处理技术水处理技术
背景情况:
- 使用UV/H2O2和低物种的先进氧化技术 (AOT) 对微污染物清除和废水回收有希望.
- 现有的关于H2O2-低反应的研究显示了动力学,速率常数和机制的差异,导致试剂使用效率低下和性能低下.
研究的目的:
- 系统地研究过氧化 (H2O2) 和低物种之间的反应动力学和机制.
- 解决先前研究中的差异,并为优化AOT流程提供分子层面的见解.
主要方法:
- 采用了互补的实验方法 (停止流光谱) 和理论方法 (直动力学轨迹,量子化学计算).
- 在不同的H2O2度下研究了反应动力学,并使用市政废水和富含氨的废水评估了矩阵效应.
主要成果:
- 确定了双分子和三分子反应动力学的组合,其主导性基于H2O2度的转移.
- 理论模拟阐明了分子层面的机制,支持光谱数据并解释了以前的差异.
- 市政废水显示微不足道的矩阵效应,表明适合于集成的AOT.
结论:
- 提供了对AOT中的H2O2-低反应的深入机制理解.
- 这些发现使得开发更高效,更经济的水回收技术成为可能.
- 优化AOT流程可以通过有效的微污染物去除,使水的再利用更安全.
相关概念视频
Regioselectivity of Electrophilic Additions-Peroxide Effect
8.6K
In the presence of organic peroxides, the addition of hydrogen bromide to an alkene yields the isomer that is not predicted by Markovnikov’s rule. For example, the addition of hydrogen bromide to 2-methylpropene in the presence of peroxides gives 1-bromo-2-methylpropane. This addition reaction proceeds via a free radical mechanism, which reverses the regioselectivity. The free radical reaction mechanism involves three stages: initiation, propagation, and termination.
8.6K
Radical Anti-Markovnikov Addition to Alkenes: Mechanism
3.8K
The reaction of hydrogen bromide with alkenes in the presence of hydroperoxides or peroxides proceeds via anti-Markovnikov addition. The radical chain reaction comprises initiation, propagation, and termination steps.
The mechanism starts with chain initiation, which involves two steps. In the first chain initiation step, a weak peroxide bond is homolytically cleaved upon mild heating to form two alkoxy radicals. In the second initiation step, a hydrogen atom is abstracted by the alkoxy...
The mechanism starts with chain initiation, which involves two steps. In the first chain initiation step, a weak peroxide bond is homolytically cleaved upon mild heating to form two alkoxy radicals. In the second initiation step, a hydrogen atom is abstracted by the alkoxy...
3.8K
Formation of Halohydrin from Alkenes
12.9K
An alkene, such as propene, reacts with bromine in the presence of water to yield a halohydrin. Halohydrins contain a halogen and a hydroxyl group attached to adjacent carbons. When the halogen is bromine, it is called a bromohydrin, while a chlorohydrin has chlorine as the halogen.
12.9K
Radical Substitution: Hydrogenolysis of Alkyl Halides with Tributyltin Hydride
1.8K
Radical substitution reactions can be used to remove functional groups from molecules. The hydrogenolysis of alkyl halides is one such reaction, where the weak Sn–H bond in tributyltin hydride reacts with alkyl halides to form alkanes. Here, the reagent Bu3SnH yields tributyltin halide as a byproduct.
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation...
The bonds formed in this reaction are stronger than the bonds broken, making it energetically favorable. The reaction follows a radical chain mechanism similar to radical halogenation...
1.8K
Radical Anti-Markovnikov Addition to Alkenes: Overview
3.4K
The addition of hydrogen bromide to alkenes in the presence of hydroperoxides or peroxides proceeds via an anti-Markovnikov pathway and yields alkyl bromides.
3.4K
Regioselectivity and Stereochemistry of Hydroboration
8.2K
A significant aspect of hydroboration–oxidation is the regio- and stereochemical outcome of the reaction.
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
Hydroboration proceeds in a concerted fashion with the attack of borane on the π bond, giving a cyclic four-centered transition state. The –BH2 group is bonded to the less substituted carbon and –H to the more substituted carbon. The concerted nature requires the simultaneous addition of –H and –BH2 across the same face of the alkene giving syn...
8.2K


