A comprehensive screening method of oxidation systems based on reaction rate constant (k value) and emergy (Em value)

Yawei Liu; Zhiquan Wang; Zhiwen Cheng; Yuanyang Ren; Yujia Tan; Tao Yuan; Zhemin Shen

doi:10.1016/j.scitotenv.2024.178216

A comprehensive screening method of oxidation systems based on reaction rate constant (k value) and emergy (Em value)

Sci Total Environ. 2025 Jan 2:959:178216. doi: 10.1016/j.scitotenv.2024.178216. Online ahead of print.

Authors

Yawei Liu¹, Zhiquan Wang², Zhiwen Cheng³, Yuanyang Ren⁴, Yujia Tan⁵, Tao Yuan⁶, Zhemin Shen⁷

Affiliations

¹ School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China; State Environmental Protection Key Laboratory of Environmental Health Impact Assessment of Emerging Contaminants, Shanghai Academy of Environment Sciences, Shanghai 200233, PR China; School of Life and Environmental Science, Wenzhou University, Wenzhou, Zhejiang 325035, PR China.
² School of Life and Environmental Science, Wenzhou University, Wenzhou, Zhejiang 325035, PR China.
³ State Environmental Protection Key Laboratory of Environmental Health Impact Assessment of Emerging Contaminants, Shanghai Academy of Environment Sciences, Shanghai 200233, PR China; School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai 201418, PR China.
⁴ School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China.
⁵ Hangzhou Municipal Ecology and Environment Bureau Qiantang branch, Hangzhou, Zhejiang 310020, PR China.
⁶ School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China; State Environmental Protection Key Laboratory of Environmental Health Impact Assessment of Emerging Contaminants, Shanghai Academy of Environment Sciences, Shanghai 200233, PR China.
⁷ School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240, PR China; State Environmental Protection Key Laboratory of Environmental Health Impact Assessment of Emerging Contaminants, Shanghai Academy of Environment Sciences, Shanghai 200233, PR China. Electronic address: [email protected].

PMID: 39752980
DOI: 10.1016/j.scitotenv.2024.178216

Abstract

Oxidation systems are diverse and widely used for the degradation of organic pollutants in water. Identifying suitable oxidation systems for certain organic pollutants is a common challenge in practical engineering. Simultaneous consideration of the oxidation selectivity and economy of different oxidation systems for organic pollutants can improve the accuracy of the screening process. Among these factors, the k value and energy consumption serve as critical indicators for evaluating selectivity and economy, respectively. In comparison to traditional pricing methods, the Em value method provides a more authentic and precise evaluation of energy consumption. Therefore, using O₃, Fenton and UV/H₂O₂ systems as case studies, this research aims to establish a comprehensive evaluation method for solar energy per order (SEO) values of oxidation systems based on k value + Em value. The results showed that for organic pollutions containing more electron-withdrawing groups (EWGs) such as nitro and halogenated, e.g., 2,6-Dinitrotoluene (1.08E+12 sej/m³/order), the Fenton system has a lower SEO value and is an efficient and economical oxidation method. For organic pollutions containing more electron-donating groups (EDGs) such as amino and hydroxyl, e.g., Aniline (1.49E+12 sej/m³/order), the O₃ system has a lower SEO value and is a suitable oxidation method.

Keywords: Coupling model; Em value; Oxidation; Screening; k value.