Quantitative structure–activity relationships for the reaction kinetics of trace organic contaminants with one-electron oxidants

Liang, Xi; Lei, Yu; Yang, Xin

doi:10.1039/d3em00329a

Environ. Sci.: Processes Impacts

2024

DOI: 10.1039/d3em00329a

|View full text |Cite

Quantitative structure–activity relationships for the reaction kinetics of trace organic contaminants with one-electron oxidants

Xi Liang,

Yu Lei,

Xin Yang

Abstract: Quantitative structure–activity relationships (QSARs) can be effective ways to understand the reactivity between trace organic contaminants (TrOCs) and radicals involved in advanced oxidation processes (AOPs).

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 94 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

Modeling ClO₂–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Peng,

Lu,

Shang

et al. 2024

Environ. Sci. Technol.

View full text Add to dashboard Cite

Chlorine dioxide (ClO 2 ) is a promising alternative disinfectant/ oxidant to free chlorine in drinking water treatment, while it reacts with natural organic matter (NOM) to form free chlorine, chlorite ions (ClO 2 − ), and chlorate ions (ClO 3 − ) as byproducts. Predicting the ClO 2 consumption and the formation of these byproducts using a kinetic model helps to balance the trade-off between disinfection/oxidation efficiency and byproduct formation. This study establishes a summative equation to describe the reaction between ClO 2 and ClO 2 -reactive moieties in the NOM (CRNOM). The average molar yields of ClO 2 − , free chlorine, Cl − , and ClO 3 − from the reactions between ClO 2 and nine NOM isolates are determined to be 0.576 ± 0.017, 0.258 ± 0.022, 0.141 ± 0.010, and 0.039 ± 0.002 per consumed ClO 2 , respectively. The bimolecular rate constants of CRNOM toward ClO 2 (k CRNOM-ClOd 2 ) are comparable among nine NOM isolates (683 ± 57 M −1 •s −1 at pH 7.0). The CRNOM concentrations and k CRNOM-ClOd 2 increase by 2-fold and 1.3fold, respectively, as pH increases from 6.0 to 9.0, while pH barely affects the molar yields of inorganic products. A kinetic model is established and enables the accurate prediction of ClO 2 − and ClO 3 − formation and ofloxacin degradation during ClO 2 oxidation in surface water.

show abstract

Modeling ClO₂–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Peng,

Lu,

Shang

et al. 2024

Environ. Sci. Technol.

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Quantitative structure–activity relationships for the reaction kinetics of trace organic contaminants with one-electron oxidants

Abstract: Quantitative structure–activity relationships (QSARs) can be effective ways to understand the reactivity between trace organic contaminants (TrOCs) and radicals involved in advanced oxidation processes (AOPs).

Cited by 1 publication

References 94 publications

Modeling ClO₂–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Modeling ClO₂–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Contact Info

Product

Resources

About

Quantitative structure–activity relationships for the reaction kinetics of trace organic contaminants with one-electron oxidants

Abstract: Quantitative structure–activity relationships (QSARs) can be effective ways to understand the reactivity between trace organic contaminants (TrOCs) and radicals involved in advanced oxidation processes (AOPs).

Cited by 1 publication

References 94 publications

Modeling ClO2–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Modeling ClO2–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Contact Info

Product

Resources

About

Modeling ClO₂–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water

Modeling ClO₂–NOM Reactions for Predicting Byproduct Formation and Micropollutant Degradation in Surface Water