Free radicals-triggered reductive and oxidative degradation of highly chlorinated compounds via regulation of heat-activated persulfate by low-molecular-weight organic acids

Qu, Jianhua; Tian, Xue; Zhang, Xiubo; Yao, Jiayi; Xue, Jiaqi; Li, Kaige; Zhang, Bo; Wang, Lei; Zhang, Ying

doi:10.1016/j.apcatb.2022.121359

Cited by 73 publications

(20 citation statements)

References 51 publications

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“…When the C was low, the adsorption equilibrium could provide adsorption sites that were relatively sufficient, and the adsorption rate was high; when the C was high, the adsorption sites gradually became saturated, resulting in a gradual decrease in the AR [ 29 ]. The coexistence of multiple ions might affect the adsorption effect of serpentine, and, in order to better explore the potential of serpentine in treating cadmium-containing industrial wastewater, the coexisting ion test will be added in subsequent experiments [ 31 ]. Considering the change law and value of both AQ and AR, when the C was 50 mg·L −1 , the AQ and AR of Cd 2+ in water were 4.15 mg·g −1 and 82.91%, respectively; they were relatively high.…”

Section: Resultsmentioning

confidence: 99%

Screening and Optimization of Conditions for the Adsorption of Cd2+ in Serpentine by Using Response Surface Methodology

Zhang

Wen-juan

2022

IJERPH

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In order to explore the optimal conditions for the adsorption of Cd2+ in serpentine, this paper studied the adsorption of simulated cadmium solutions with serpentine as an adsorbent. On the basis of a single factor experiment, four factors including the amount of serpentine, initial pH, the initial concentration of solutions, and adsorption time were selected as the influencing factors, and the adsorption quantity and adsorption rate of serpentine to Cd2+ were double response values using the Box–Behnken design. Response surface analyses were used to study the effects of four factors on the adsorption quantity and adsorption rate of serpentine on cadmium, and the interaction between various factors. The results showed that the optimum adsorption conditions were as follows: the amount of serpentine was 1%, the initial pH was 5.5, the initial solution concentration was 40.83 mg·L−1, and the adsorption time was 26.78 h. Under these conditions, the theoretical adsorption quantity and adsorption rate of serpentine to Cd2+ were 3.99 mg·g−1 and 95.24%, respectively. At the same time, after three repeated experiments, the actual adsorption quantity and adsorption rate of serpentine to Cd2+ were 3.91 mg·g−1 and 94.68%, respectively, and the theoretical value was similar to the actual value. Therefore, it was proved that the experimental design of the regression model is reliable, and it is feasible to use the response surface method to optimize the adsorption conditions of serpentine on Cd2+.

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Section: Resultsmentioning

confidence: 99%

Screening and Optimization of Conditions for the Adsorption of Cd2+ in Serpentine by Using Response Surface Methodology

Zhang

Wen-juan

2022

IJERPH

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“…10,217 In the same line, EF could be easily scaled up for industrial applications in countries with accessible electricity prices such as Canada, where the electricity cost is 50% lower than in the US. 218,219 On the other hand, the installation/initial capital costs are still elevated, estimated at approximately USD $27,000-$40,000 per m 3 of treated wastewater, establishing a COD removal rate of 85%. 220 Although there are still some challenges to scale-up the EF process, we do believe that it will find industrial applications in the near future if enough data on operation and equipment costs of larger-scale systems are proven to be competitive.…”

Section: Discussionmentioning

confidence: 99%

Critical Review on the Mechanisms of Fe²⁺ Regeneration in the Electro-Fenton Process: Fundamentals and Boosting Strategies

et al. 2023

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This review presents an exhaustive overview on the mechanisms of Fe3+ cathodic reduction within the context of the electro-Fenton (EF) process. Different strategies developed to improve the reduction rate are discussed, dividing them into two categories that regard the mechanistic feature that is promoted: electron transfer control and mass transport control. Boosting the Fe3+ conversion to Fe2+ via electron transfer control includes: (i) the formation of a series of active sites in both carbon- and metal-based materials and (ii) the use of other emerging strategies such as single-atom catalysis or confinement effects. Concerning the enhancement of Fe2+ regeneration by mass transport control, the main routes involve the application of magnetic fields, pulse electrolysis, interfacial Joule heating effects, and photoirradiation. Finally, challenges are singled out, and future prospects are described. This review aims to clarify the Fe3+/Fe2+ cycling process in the EF process, eventually providing essential ideas for smart design of highly effective systems for wastewater treatment and valorization at an industrial scale.

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“…30 structures to phenothiazine derivatives, local descriptors for characteristic 20N and 21S atoms were extracted from each molecule to create the descriptors data set for their prominent values. 31 Additionally, the maximum values of f + , f 0 , and f − in each molecule were calculated. The proportion of atoms with CFF above the average and the average value of the CFF for these atoms were considered in the data set.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

“…The values of f + , f 0 , and f – represent the vulnerability to nucleophilic, radical, and electrophilic attack, respectively, for each atom in a specific molecule . Because the 22 contaminants shared similar structures to phenothiazine derivatives, local descriptors for characteristic 20N and 21S atoms were extracted from each molecule to create the descriptors data set for their prominent values . Additionally, the maximum values of f + , f 0 , and f – in each molecule were calculated.…”

Section: Methodsmentioning

confidence: 99%

Density Functional Theory and Machine Learning-Based Quantitative Structure–Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments

Xiao

Yang

Feng

et al. 2023

Environ. Sci. Technol.

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Heterogeneous peroxymonosulfate (PMS) treatment is recognized as an effective advanced oxidation process (AOP) for the treatment of organic contaminants. Quantitative structure–activity relationship (QSAR) models have been applied to predict the oxidation reaction rates of contaminants in homogeneous PMS treatment systems but are seldom applied in heterogeneous treatment systems. Herein, we established QSAR models updated with density functional theory (DFT) and machine learning approaches to predict the degradation performance for a series of contaminants in heterogeneous PMS systems. We imported the characteristics of organic molecules calculated using constrained DFT as input descriptors and predicted the apparent degradation rate constants of contaminants as the output. The genetic algorithm and deep neural networks were used to improve the predictive accuracy. The qualitative and quantitative results from the QSAR model for the degradation of contaminants can be used to select the most appropriate treatment system. A strategy for selection of the optimum catalyst for PMS treatment of specific contaminants was also established according to the QSAR models. This work not only increases our understanding of contaminant degradation in PMS treatment systems but also highlights a novel QSAR model to predict the degradation performance in complicated heterogeneous AOPs.

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Free radicals-triggered reductive and oxidative degradation of highly chlorinated compounds via regulation of heat-activated persulfate by low-molecular-weight organic acids

Cited by 73 publications

References 51 publications

Screening and Optimization of Conditions for the Adsorption of Cd2+ in Serpentine by Using Response Surface Methodology

Screening and Optimization of Conditions for the Adsorption of Cd2+ in Serpentine by Using Response Surface Methodology

Critical Review on the Mechanisms of Fe²⁺ Regeneration in the Electro-Fenton Process: Fundamentals and Boosting Strategies

Density Functional Theory and Machine Learning-Based Quantitative Structure–Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments

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Free radicals-triggered reductive and oxidative degradation of highly chlorinated compounds via regulation of heat-activated persulfate by low-molecular-weight organic acids

Cited by 73 publications

References 51 publications

Screening and Optimization of Conditions for the Adsorption of Cd2+ in Serpentine by Using Response Surface Methodology

Screening and Optimization of Conditions for the Adsorption of Cd2+ in Serpentine by Using Response Surface Methodology

Critical Review on the Mechanisms of Fe2+ Regeneration in the Electro-Fenton Process: Fundamentals and Boosting Strategies

Density Functional Theory and Machine Learning-Based Quantitative Structure–Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments

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Product

Resources

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Critical Review on the Mechanisms of Fe²⁺ Regeneration in the Electro-Fenton Process: Fundamentals and Boosting Strategies