Degradation of benzophenone-4 by peroxymonosulfate activated with microwave synthesized well-distributed CuBi2O4 microspheres: Theoretical calculation of degradation mechanism

Wang, Yiping; Yan, Pengwei; Dou, Xiaomin; Liu, Chao; Zhang, Yuting; Song, Zilong; Chen, Zhonglin; Xu, Bin; Qi, Fei

doi:10.1016/j.apcatb.2021.120048

Cited by 84 publications

(14 citation statements)

References 62 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The removal efficiency of 2,4-DCP was from 81.2% to 96.2% with PMS concentration increased from 1.0 g/L to 3.0 g/L. However, there was no improvement when PMS concentration further increased to 4.0 g/L, which might be due to the ineffective activation of excess PMS resulting from the saturation of catalyst active sites . The PMS dosage should be controlled at a low level considering the corrosion problems of the pipeline caused by the sulfate ions in the urban water system .…”

Section: Resultsmentioning

confidence: 97%

“…However, there was no improvement when PMS concentration further increased to 4.0 g/L, which might be due to the ineffective activation of excess PMS resulting from the saturation of catalyst active sites. 44 The PMS dosage should be controlled at a low level considering the corrosion problems of the pipeline caused by the sulfate ions in the urban water system. 45 Although 3.0 g/L PMS was used in this study, it is worth noting that in practical applications, a relatively high removal could be obtained even if the PMS dosage was reduced to 1.0 g/L.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Insight into Nitrogen Doped Waste-Tire Carbon for Radical and Nonradical Oxidation via a Probe-Based Kinetic Model

Zhou

Wang

et al. 2023

ACS EST Water

View full text Add to dashboard Cite

Nitrogen doping can enhance the catalytic activity of carbon materials for activating peroxymonosulfate (PMS). The structure of nitrogen may strongly influence the generation of reactive oxygen species (ROS). However, few studies have focused on the methods for measuring ROS concentrations, making it difficult to assess the role of nitrogen species in PMS activation. Herein, we synthesized a series of nitrogen-doped waste-tire carbon and established a kinetic model with probes to estimate the ROS concentrations. Waste-tire carbon was doped with nitrogen via vibration milling and calcination, which generated the structures of graphitic N and pyridinic N. Both radical (•OH, SO4 •–) and nonradical (1O2) species were discovered by electron paramagnetic resonance. The calculations with the kinetic model revealed that 1O2 was the main ROS. Besides, combined with the density functional theory, graphitic N was suggested to be responsible for the generation of 1O2. This work provides a green catalyst developed from solid waste and an effective protocol to monitor the ratios of ROS in the degradation of pollutants with PMS.

show abstract

Section: Resultsmentioning

confidence: 97%

Section: Resultsmentioning

confidence: 99%

Insight into Nitrogen Doped Waste-Tire Carbon for Radical and Nonradical Oxidation via a Probe-Based Kinetic Model

Zhou

Wang

et al. 2023

ACS EST Water

View full text Add to dashboard Cite

show abstract

“…Therefore, its significance is limited. Taking into account both Δ G and Δ G T comprehensively can significantly enhance the accuracy of the research. ,,− Wang et al investigated the RAF reaction between SO 4 · – /·OH and benzophenone-4 (BP-4), revealing that Δ G T of SO 4 · – was lower, while Δ G of the ·OH addition reaction was also lower. Therefore, it is postulated that the initial step involves the addition of SO 4 · – , followed by a substitution reaction with ·OH.…”

Section: Transition-state-based Methodsmentioning

confidence: 99%

DFT Calculation of Nonperiodic Small Molecular Systems to Predict the Reaction Mechanism of Advanced Oxidation Processes: Challenges and Perspectives

et al. 2023

View full text Add to dashboard Cite

Advanced oxidation processes (AOPs) have a broad range of potential applications in the treatment of emerging refractory emerging pollutants. However, due to the presence of highly reactive substances such as free radicals that are difficult to capture, it is challenging to investigate the mechanism of AOPs at the elementary reaction level. The conventional methods, such as electron spin resonance (ESR), free radical quantification, and free radical quenching, are plagued by systematic issues that have led to bottlenecks in the field of AOP studies. The development of computational chemistry theory and computer performance provides a new method to study the mechanism of AOPs through density functional theory (DFT) calculation. Due to its excellent cost–performance benefit, DFT calculations for aperiodic small molecules have become popular in the field of AOPs. In this paper, a comprehensive review is presented on the applications of DFT calculations for predicting active sites and exploring reaction selectivity and oxidant activation mechanisms. A systematic classification of methods related to molecular descriptors and transition states is provided. Furthermore, some current research issues are identified, and future development prospects and challenges are discussed.

show abstract

“…Pathogenic microorganisms are the source of waterborne diseases, prompting us to explore new green and efficient water disinfection technologies to solve the increasingly serious water resource problems. − The photocatalytic-activated persulfate (PS) advanced oxidation process has attracted extensive attention due to its low energy consumption, strong oxidation, and high mineralization characteristics in water purification. − However, most of the photocatalysts currently developed for the visible light PS activation are based on precious metal materials such as platinum and silver, which are expensive and potentially toxic to the environment. − As an emerging photocatalyst, bismuth-based material has shown excellent photocatalytic activation of the PS ability through variation in valence, proven in many studies. − Bismuth-based photocatalytic materials with high stability and environmental friendliness have great potential in advanced oxidation processes.…”

Section: Introductionmentioning

confidence: 99%

Heterogeneous Bismuth Oxide Assemblages for Use in Persulfate Activation via the Bi–O–O Bridge: Reactivity, Kinetics, and Bactericidal Mechanism

Zhang

Tang

et al. 2023

ACS EST Eng.

View full text Add to dashboard Cite

Revealing the electron transport mechanism in the persulfate activation process is essential for the design of efficient catalysts. Herein, a series of catalysts with amorphous oxide layers of different thicknesses were synthesized and the results showed that the heterogeneity of metallic Bi and surface amorphous bismuth oxide layer improves the photogenerated carrier separation efficiency. More importantly, the Bi–O–O electronic bridge (BiVO(−1)O(−1)SO3 –) established by adsorption of persulfate (PS) on the surface amorphous oxide layer is the key step in facilitating the activation: acting as a fast electron transfer channel to facilitate the formation of PS-activated generation of reactive oxygen species (SO4 ·–, ·OH, ·O2 –, and 1O2) as well as enabling BiIII/BiV redox cycling. The treatment achieved 100% disinfection performance within 60 min by the cell membrane damage and internal antioxidant system destruction. This study reveals the interfacial activation and disinfection mechanism of heterogeneous bismuth oxide assemblages and provides a candidate disinfection strategy.

show abstract

Degradation of benzophenone-4 by peroxymonosulfate activated with microwave synthesized well-distributed CuBi2O4 microspheres: Theoretical calculation of degradation mechanism

Cited by 84 publications

References 62 publications

Insight into Nitrogen Doped Waste-Tire Carbon for Radical and Nonradical Oxidation via a Probe-Based Kinetic Model

Insight into Nitrogen Doped Waste-Tire Carbon for Radical and Nonradical Oxidation via a Probe-Based Kinetic Model

DFT Calculation of Nonperiodic Small Molecular Systems to Predict the Reaction Mechanism of Advanced Oxidation Processes: Challenges and Perspectives

Heterogeneous Bismuth Oxide Assemblages for Use in Persulfate Activation via the Bi–O–O Bridge: Reactivity, Kinetics, and Bactericidal Mechanism

Contact Info

Product

Resources

About