A Unified Kinetic–Process Framework for Advanced Oxidation Processes: From Radical Chemistry to Reactor-Scale Performance in Wastewater Treatment
Author: Dr. Ahmad Saylam
Document type: Open technical preprint
Version: v1
Publication date:
Scientific status: Matrix-aware, screening-level engineering framework supported by transparent kinetic and process calculations. Software tests support implementation integrity; application to a specific wastewater, reactor or treatment train requires case-specific data and experimental or process validation.
Preprint DOI: 10.5281/zenodo.19732394
Zenodo preprint record: https://zenodo.org/records/19732395
Abstract
Advanced oxidation processes (AOPs) are widely investigated for the removal of persistent organic contaminants from wastewater, yet their full-scale application remains limited by matrix effects, energy demand and scale-up challenges. A key difficulty lies in linking intrinsic reaction kinetics to reactor-scale performance under realistic conditions.
This work develops a unified kinetic–process framework that integrates radical generation, matrix-dependent scavenging and transport phenomena within a system-level description. The apparent first-order rate constant (kapp) is interpreted as an emergent parameter governing observable treatment performance.
Screening calculations for representative wastewater matrices indicate that hydroxyl-radical consumption can be dominated by dissolved organic carbon and inorganic scavengers, reducing effective radical availability by several orders of magnitude relative to idealized systems. This provides a mechanistic basis for understanding why intrinsic contaminant reactivity does not necessarily translate into the same observable degradation rate in a real matrix.
AOP performance is further controlled by coupled kinetic–transport regimes in which mass transfer, radiation attenuation and hydrodynamics constrain radical availability and produce non-linear scale-up behaviour. A dimensionless formulation based on Damköhler, Sherwood, cavitation, Reynolds and optical-thickness parameters provides a consistent basis for interpreting rate-limiting mechanisms.
Within the pseudo-first-order screening formulation, the treatment time required for a specified target conversion decreases as kapp increases. Energy demand then depends on both the required treatment time and the process-specific power input. The framework therefore treats apparent kinetics as one part of a broader matrix-aware assessment that also requires realistic performance metrics, transport analysis and process integration. It provides a structured basis for AOP screening, comparison, optimization studies and scale-up planning in wastewater treatment.
Scope and evidence boundary
The framework supports screening, mechanistic interpretation, comparison, experiment planning and validation planning. It does not replace a complete radical-reaction mechanism, an experimentally validated reactor model, site-specific experiments, transformation-product analysis, toxicity assessment, equipment sizing, process-safety assessment or a final treatment-process design.
Automated software tests verify expected behaviour of the implemented calculations. They do not by themselves establish predictive validity for a real wastewater matrix, pollutant mixture, oxidant, irradiation system, catalyst or reactor.
Full text
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License
The deposited work is identified as available under the Creative Commons Attribution 4.0 International licence .
Recommended preprint citation
Saylam, A. (2026). A Unified Kinetic–Process Framework for Advanced Oxidation Processes: From Radical Chemistry to Reactor-Scale Performance in Wastewater Treatment. Version v1. Zenodo. https://doi.org/10.5281/zenodo.19732394
Companion software repository
The public repository contains modular Python calculations, documentation, representative data, reproducible examples, automated implementation tests and engineering interpretation guidance for matrix-aware AOP screening.
The software repository has a separate archival DOI. The preprint DOI above should be used when citing the scientific document; the repository DOI should be used when citing the software release.