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Electrochemical Mineralization of Ibuprofen on BDD Electrodes in an Electrochemical Flow Reactor - Numerical Optimization Approach

MetadataDetails
Publication Date2020-12-17
JournalProcesses
AuthorsAlejandro Regalado-MĂ©ndez, MartĂ­n Ruiz, JosĂ© Antonio HernĂĄndez ServĂ­n, Reyna Natividad, Rubı́ Romero
InstitutionsUniversidad Popular AutĂłnoma del Estado de Puebla, Universidad del Mar
Citations13
AnalysisFull AI Review Included
  • High Mineralization Achievement: A 91.6% mineralization efficiency (EM) of Ibuprofen (IBU) was achieved in synthetic wastewater using a continuous Electrochemical Flow Reactor (EFR).
  • Green Technology: The process utilizes dual Boron-Doped Diamond (BDD) electrodes (cathode and anode), relying on hydroxyl radical production without the addition of dangerous chemicals.
  • Optimized Energy Use: Response Surface Methodology (RSM) successfully minimized specific energy consumption (Ec) to 4.36 kWh/g TOC, confirming the efficiency of the numerical optimization approach.
  • Cost-Effective Operation: The optimized conditions result in a very low operational cost of 0.002 USD/L, making the process highly feasible for industrial application.
  • Optimal Parameters: Maximum efficiency was achieved at high alkalinity (pH0 = 12.29), moderate current intensity (I = 3.26 A), and a volumetric flow rate (Q) of 1 L/min.
  • Process Control: The mineralization kinetics followed a pseudo-zero order, and the process was confirmed to be controlled by diffusion (mass transfer limited), indicating a high rate of hydroxyl radical generation.
  • Model Reliability: The third-order polynomial models developed showed high predictive performance, with a combined desirability value of 0.9999993.
ParameterValueUnitContext
Optimal Mineralization Efficiency (EM)91.6%Achieved at 7 h electrolysis time
Optimal Specific Energy Consumption (Ec)4.36kWh/g TOCMinimum consumption at optimal conditions
Operational Cost0.002USD/LCalculated cost for IBU mineralization
Optimal Initial pH (pH0)12.29dimensionlessOptimized operating condition
Optimal Current Intensity (I)3.26AOptimized operating condition
Volumetric Flow Rate (Q)1.0L/minSet central value for optimization
Initial TOC Concentration35mg TOC/LSynthetic IBU solution
Electrode MaterialBDD (5 ”m on Nb)-Both cathode and anode
Reactor Volume (EFR)3.52 x 10-5m3Volume of the electrochemical flow reactor
Electrode Separation1.1cmDistance between BDD electrodes
Applied Current Density (JAppl)109.0mA/cm2Calculated at optimal current (I = 3.26 A)
Limiting Current Density (JLim)2.74mA/cm2Indicates diffusion control (JAppl > JLim)
Pseudo-Zero Order Rate Constant (k0)0.0824mg TOC/L minKinetic decay rate
Model R2 (EM)0.8658-Coefficient of determination for EM model
Model R2 (Ec)0.8468-Coefficient of determination for Ec model
  1. Reactor Configuration: Experiments were conducted in a continuous Electrochemical Flow Reactor (EFR) operating under recirculation batch mode (total volume 2.5 L).
  2. Electrode System: Two Boron-Doped Diamond (BDD) electrodes (5 ”m thickness supported on Niobium) were used, serving simultaneously as the cathode and anode.
  3. Solution Preparation: Synthetic wastewater containing 40 mg/L IBU and 0.1 M Na2SO4 electrolyte was prepared, with pH adjusted using 1 M NaOH or 1 M H2SO4.
  4. Experimental Design: A Central Composite Rotatable (CCR) design was implemented to analyze the effects of three independent variables: initial pH (pH0), current intensity (I), and volumetric flow rate (Q).
  5. Response Surface Modeling (RSM): Experimental data for mineralization efficiency (EM) and specific energy consumption (Ec) were fitted to third-degree polynomial regression equations using step-wise regression.
  6. Numerical Optimization: Multi-response optimization was performed using the desirability function (achieving 0.9999993) to simultaneously maximize EM and minimize Ec.
  7. Kinetic and Control Analysis: The reaction kinetics were determined to be pseudo-zero order (constant hydroxyl radical production). Comparison of applied current density (109.0 mA/cm2) versus limiting current density (2.74 mA/cm2) confirmed the process is controlled by diffusion (mass transfer).
  • Pharmaceutical Wastewater Treatment: Direct application for the remediation of industrial effluents containing emerging contaminants (ECs) like IBU, Diclofenac, and Naproxen.
  • High-Efficiency Advanced Oxidation Processes (AOPs): Implementation of BDD-based Electrochemical AOPs (EAOPs) for treating complex, non-biodegradable organic pollutants in municipal or industrial water streams.
  • Sustainable Water Remediation: The low Ec (4.36 kWh/g TOC) supports the use of this technology in remote or off-grid locations when coupled with sustainable power sources (e.g., solar arrays).
  • Electrochemical Reactor Design: Provides optimized operating parameters and validated mathematical models for scaling up BDD-based flow reactors for continuous industrial use.
  • BDD Electrode Market: Drives demand for high-quality, durable BDD electrodes (anodes and cathodes) suitable for long-term, high-performance electrochemical applications.
View Original Abstract

Statistical analysis was applied to optimize the electrochemical mineralization of ibuprofen with two boron-doped diamond (BDD) electrodes in a continuous electrochemical flow reactor under recirculation batch mode. A central composite rotatable (CCR) experimental design was used to analyze the effect of initial pH (2.95-13.04), current intensity (2.66-4.34 A), and volumetric flow rate (0.16-1.84 L/min) and further optimized by response surface methodology (RSM) to obtain the maximum mineralization efficiency and the minimum specific energy consumption. A 91.6% mineralization efficiency (EM) of ibuprofen with a specific energy consumption (EC) of 4.36 KW h/g TOC within 7 h of treatment was achieved using the optimized operating parameters (pH0 = 12.29, I = 3.26 A, and Q of 1 L/min). Experimental results of RSM were fitted via a third-degree polynomial regression equation having the performance index determination coefficients (R2) of 0.8658 and 0.8468 for the EM and EC, respectively. The reduced root-mean-square error (RMSE) was 0.1038 and 0.1918 for EM and EC, respectively. This indicates an efficient predictive performance to optimize the operating parameters of the electrochemical flow reactor with desirability of 0.9999993. Besides, it was concluded that the optimized conditions allow to achieve a high percentage of ibuprofen mineralization (91.6%) and a cost of 0.002 USD $/L. Therefore, the assessed process is efficient for wastewater remediation.”

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