The increasing need for efficient wastewater treatment has led to developing and optimizing electrochemical processes, especially those employing boron-doped diamond (BDD) anodes. This study delves into the core mechanisms, critical parameters, and sophisticated modeling and simulation methodologies essential for optimizing the performance of electrochemical wastewater treatment systems. Electrochemical mineralization occurs through the generation of hydroxyl radicals at the BDD anode and efficiently breaks down a wide range of organic pollutants into carbon dioxide and water. Important factors including current density, initial pollutant concentration, electrolyte composition, and energy consumption greatly influence the effectiveness of the treatment. Advanced modeling and simulation techniques offer valuable insights for optimizing these factors, ensuring thorough mineralization of pollutants while minimizing energy consumption. By integrating experimental data with theoretical models, this study offers an in-depth understanding of the dynamics and optimization strategies in electrochemical wastewater treatment, presenting an effective and practical solution for environmental remediation.