Skip to content

Modeling and Optimization of p-Benzoquinone Degradation via Flow-By Electro-Oxidation on Boron-Doped Diamond Electrodes

MetadataDetails
Publication Date2025-03-22
JournalProcesses
AuthorsEver Peralta-Reyes, Alejandro Regalado-Méndez, Frida A. Robles, Carlos Méndez-Durazno, Patricio J. Espinoza-Montero
InstitutionsPontificia Universidad CatĂłlica del Ecuador, Universidad del Mar
AnalysisFull AI Review Included
  • Core Achievement: Successful modeling and optimization of p-Benzoquinone (p-BQ) degradation using a flow-by electrochemical reactor equipped with Boron-Doped Diamond (BDD) electrodes acting as both anode and cathode.
  • Optimal Performance: A maximum experimental removal efficiency (η) of 97.32% was achieved for a 2.5 L solution after 5 hours of electrolysis.
  • Optimized Parameters: The optimal operating conditions were determined using Response Surface Methodology (RSM) to be an initial pH (pH0) of 6.52 and an applied current density (j) of 0.124 A/cm2.
  • Kinetic Model: The degradation process followed pseudo-first-order kinetics (kapp = 0.966 1/h, R2 = 0.9737), indicating mass transfer control, typical for BDD-based Advanced Oxidation Processes (AOPs).
  • Economic Viability: The total operating cost was estimated at USD 3.07/L, with a specific energy consumption (SEC) of 127.854 kWh/m3 at maximum removal, highlighting the method’s potential for scalability and compatibility with renewable energy sources.
  • BDD Advantage: The use of BDD electrodes (BDD/BDD configuration) ensures high corrosion resistance and efficient generation of weakly adsorbed hydroxyl radicals (‱OH), facilitating rapid and non-selective mineralization of recalcitrant contaminants.
ParameterValueUnitContext
Electrode MaterialBDD on Niobium (Nb)N/AAnode and Cathode
Electrode Area (Each)32cm2Geometric area
BDD Film Thickness5”mMaterial specification
Initial p-BQ Concentration ([C]0)1 x 10-3MAqueous solution
Supporting Electrolyte0.15 M Na2SO4MUsed for conductivity
Total Volume Treated (Vt)2.5LBatch recirculation mode
Optimal Initial pH (pH0)6.52DimensionlessOptimized factor
Optimal Current Density (j)0.124A/cm2Optimized factor
Electrolysis Time (t)5hTime to reach 97.32% removal
Maximum Removal Efficiency (η)97.32%Experimental result
Specific Energy Consumption (SEC)127.854kWh/m3At 97.32% removal
Total Operating Cost (OC)3.07USD/LIncludes energy and electrolyte cost
Apparent Kinetic Constant (kapp)0.9661/hPseudo-first-order model
Model Fit (R2)0.9737N/AKinetic model correlation
Model Adequacy Precision14.516N/ASignal-to-noise ratio (>4 is desirable)
  1. Solution Preparation: A 2.5 L aqueous solution of 1 x 10-3 M p-BQ was prepared using 0.15 M Na2SO4 as the supporting electrolyte. pH adjustment (ranging from 2.71 to 7.83) was performed using 2 M NaOH or H2SO4 solutions according to the experimental design matrix.
  2. Reactor Setup: Experiments were conducted in a flow-by electrochemical reactor (FM01-LC) operating in batch recirculation mode. The reactor was equipped with two BDD electrodes (32 cm2 area, 5 ”m thickness on Nb support) serving simultaneously as the anode and cathode.
  3. Experimental Design and Optimization: A Face-Centered Central Composite Design (CCD) within Response Surface Methodology (RSM) was employed to model and optimize the process. Initial pH (pH0) and applied current density (j) were selected as independent variables.
  4. Electrolysis and Energization: Electrode energization was supplied by a GW Instek GPR-351OHD power supply. The optimal conditions (pH0 6.52, j 0.124 A/cm2) were run for 5 hours.
  5. Analytical Procedures: p-BQ degradation efficiency (η) was monitored by measuring the absorbance (A) of samples at 246 nm using a Perkin Elmer Lambda 365 UV-Vis spectrophotometer.
  6. Cost and Kinetic Analysis: The total operating cost (OC) and specific energy consumption (SEC) were calculated based on energy usage (electrodes, flow pump, heat exchanger pump) and electrolyte cost. Kinetic analysis confirmed pseudo-first-order degradation, indicating mass transfer control.

The use of BDD electrodes in electrochemical reactors, as demonstrated in this study, is highly relevant for industrial applications requiring robust and efficient contaminant destruction.

Industry/SectorApplicationBDD Material Advantage
Wastewater TreatmentMineralization of Contaminants of Emerging Concern (CECs) like p-BQ, pharmaceuticals, and pesticides.Wide potential window and high corrosion resistance allow for efficient generation of powerful ‱OH radicals, leading to complete mineralization (CO2 and H2O).
Chemical ManufacturingTreatment of highly toxic or recalcitrant process streams and concentrated industrial effluents.High durability and stability in strongly acidic or corrosive environments, ensuring long-term cycling without electrode degradation (unlike PbO2 or Pt).
Water Reuse & RecyclingTertiary treatment of municipal or industrial effluent to meet stringent discharge or reuse quality standards.Low background current and non-selective oxidation capability ensure effective removal of trace organic pollutants that bypass conventional biological treatment.
Electrochemical SynthesisProduction of high-value oxidants (e.g., H2O2, persulfate) or electrochemical conversion processes.sp3-hybridized orbital structure minimizes adsorption of intermediates, promoting desired electrochemical reactions on the surface.
Environmental RemediationSoil and groundwater remediation via electrochemical methods.Compatibility with renewable energy sources (e.g., solar panels) due to relatively low energy consumption compared to other AOPs, making remote deployment feasible.
View Original Abstract

The electro-oxidation of p-Benzoquinone (p-BQ) was investigated in a flow-by reactor (FM01-LC) without separation, with two boron-doped diamond (BDD) electrodes as both the anode and cathode, in batch recirculation mode. The optimal operating conditions were determined using response surface methodology, specifically a face-centered central composite design. The initial pH (pH₀) and applied current density (j) were evaluated as factors, while the p-BQ (η (%)) served as the response variable. The optimal conditions, a pH0 of 6.52 and a j of 0.124 A/cm2, achieved a maximum removal efficiency of 97.32% after 5 h of electrolysis. The specific energy consumption and total operating cost were 127.854 kWh/m3 and USD 3.7 USD/L, respectively.

  1. 2016 - Global Marine Pollutants Inhibit P-Glycoprotein: Environmental Levels, Inhibitory Effects, and Cocrystal Structure [Crossref]
  2. 2005 - The P-Benzoquinone DNA Adducts Derived from Benzene Are Highly Mutagenic [Crossref]
  3. 2014 - Anodic Oxidation of Benzoquinone Using Diamond Anode [Crossref]
  4. 2015 - P-Benzoquinone Anodic Degradation by Carbon Black Diamond Composite Electrodes [Crossref]
  5. 2023 - Reductive Dehalogenation and Formation of Sulfonated Quinones in the Aqueous Reactions between Various Chloro-1,4-Benzoquinones and Sulfur(IV) [Crossref]
  6. 2024 - Decoupled Oxidation Process Enabled by Atomically Dispersed Copper Electrodes for In-Situ Chemical Water Treatment [Crossref]
  7. 2006 - Electrochemical Oxidation of Organic Pollutants for the Wastewater Treatment: Direct and Indirect Processes [Crossref]
  8. 1994 - Electrocatalysis in the Electrochemical Conversion/Combustion of Organic Pollutants for Waste Water Treatment [Crossref]
  9. 2023 - Rapid Self-Heating Synthesis of Fe-Based Nanomaterial Catalyst for Advanced Oxidation [Crossref]