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Discovery of an End-to-End Pattern for Contaminant-Oriented Advanced Oxidation Processes Catalyzed by Biochar with

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This study introduces a hierarchical machine learning pipeline for optimizing biochar-catalyzed peroxymonosulfate advanced oxidation processes (BC-PMS AOPs) for specific emerging contaminants. The approach enables contaminant-oriented degradation optimization, bridging ML development and environmental application.

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advanced oxidation processescontaminant-oriented degradationemerging contaminantend-to-end patternmachine learning

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Area of Science:

  • Environmental Chemistry
  • Water Treatment Technologies
  • Machine Learning Applications

Background:

  • Biochar-catalyzed peroxymonosulfate advanced oxidation processes (BC-PMS AOPs) are effective for emerging contaminant (EC) mitigation.
  • Machine learning (ML) has been used for predicting reaction rates in BC-PMS AOPs, but contaminant-specific optimization is lacking.

Purpose of the Study:

  • To develop a hierarchical ML pipeline for end-to-end (E2E) contaminant-oriented optimization of BC-PMS AOPs.
  • To enable specific degradation strategies for diverse ECs using ML.

Main Methods:

  • Developed an XGB model for predicting EC degradation reaction constants in BC-PMS AOPs.
  • Created EC-specific submodels based on HOMO-LUMO gaps for targeted optimization.
  • Implemented a hierarchical ML pipeline for an E2E operating pattern.

Main Results:

  • The comprehensive XGB model accurately predicted reaction constants for various ECs.
  • Submodels provided tailored optimization strategies for specific ECs based on their electronic properties.
  • The E2E pipeline demonstrated effective contaminant-oriented optimization of BC-PMS AOPs.

Conclusions:

  • The hierarchical ML pipeline successfully bridges the gap between ML model development and practical environmental applications in AOPs.
  • This study advances the understanding and application of contaminant-oriented optimization for BC-PMS AOPs.
  • The developed approach facilitates targeted mitigation of emerging contaminants through advanced oxidation processes.