Chemical engineering simulations play a critical role in advancing wastewater treatment technologies for environmental sustainability. This review highlights the importance of simulations in modeling and optimizing wastewater treatment processes, enhancing pollutant removal efficiency, and designing innovative technologies. Simulations enable engineers to predict system behavior, optimize process parameters, and develop effective strategies for addressing emerging challenges such as the removal of pharmaceuticals, microplastics, and endocrine-disrupting chemicals. By integrating simulation techniques with experimental data and real-world applications, engineers can improve the efficiency, effectiveness, and sustainability of wastewater treatment systems. Key simulation techniques include process modeling, computational fluid dynamics (CFD), and reaction kinetics modeling. These tools are used to simulate physical, chemical, and biological processes in wastewater treatment, such as sedimentation, filtration, adsorption, chemical precipitation, oxidation-reduction reactions, and biological nutrient removal. Simulations help in optimizing treatment processes, designing efficient systems, and predicting the performance of different technologies under various conditions. Innovative wastewater treatment technologies, such as membrane filtration, advanced oxidation processes, and biological nutrient removal systems, benefit significantly from simulation-driven approaches. Simulations allow for the optimization of membrane module design, the prediction of ozone reaction kinetics, and the modeling of microbial population dynamics in nutrient recovery processes. These simulations contribute to the development of more efficient, cost-effective, and environmentally friendly solutions for wastewater treatment. Addressing emerging challenges in wastewater treatment, such as the removal of emerging contaminants and resource recovery, requires the application of advanced simulation techniques. Simulations help in evaluating the effectiveness of different treatment technologies, optimizing operational parameters, and minimizing environmental impacts. By integrating simulations with experimental data and real-world applications, engineers can design and operate wastewater treatment systems that are effective, efficient, and sustainable. Future directions in simulation for wastewater treatment include the integration of artificial intelligence (AI) algorithms, the development of multi-scale modeling approaches, and the use of data-driven modeling techniques. These advancements will enhance the accuracy and adaptability of simulation models, enabling more precise predictions and optimized designs. However, challenges such as data availability, computational complexity, and model validation must be addressed to fully realize the potential of simulation approaches in wastewater treatment. By investing in research and development efforts and fostering collaboration across disciplines, the field of wastewater treatment can continue to evolve and advance towards more sustainable and efficient solutions.Chemical engineering simulations play a critical role in advancing wastewater treatment technologies for environmental sustainability. This review highlights the importance of simulations in modeling and optimizing wastewater treatment processes, enhancing pollutant removal efficiency, and designing innovative technologies. Simulations enable engineers to predict system behavior, optimize process parameters, and develop effective strategies for addressing emerging challenges such as the removal of pharmaceuticals, microplastics, and endocrine-disrupting chemicals. By integrating simulation techniques with experimental data and real-world applications, engineers can improve the efficiency, effectiveness, and sustainability of wastewater treatment systems. Key simulation techniques include process modeling, computational fluid dynamics (CFD), and reaction kinetics modeling. These tools are used to simulate physical, chemical, and biological processes in wastewater treatment, such as sedimentation, filtration, adsorption, chemical precipitation, oxidation-reduction reactions, and biological nutrient removal. Simulations help in optimizing treatment processes, designing efficient systems, and predicting the performance of different technologies under various conditions. Innovative wastewater treatment technologies, such as membrane filtration, advanced oxidation processes, and biological nutrient removal systems, benefit significantly from simulation-driven approaches. Simulations allow for the optimization of membrane module design, the prediction of ozone reaction kinetics, and the modeling of microbial population dynamics in nutrient recovery processes. These simulations contribute to the development of more efficient, cost-effective, and environmentally friendly solutions for wastewater treatment. Addressing emerging challenges in wastewater treatment, such as the removal of emerging contaminants and resource recovery, requires the application of advanced simulation techniques. Simulations help in evaluating the effectiveness of different treatment technologies, optimizing operational parameters, and minimizing environmental impacts. By integrating simulations with experimental data and real-world applications, engineers can design and operate wastewater treatment systems that are effective, efficient, and sustainable. Future directions in simulation for wastewater treatment include the integration of artificial intelligence (AI) algorithms, the development of multi-scale modeling approaches, and the use of data-driven modeling techniques. These advancements will enhance the accuracy and adaptability of simulation models, enabling more precise predictions and optimized designs. However, challenges such as data availability, computational complexity, and model validation must be addressed to fully realize the potential of simulation approaches in wastewater treatment. By investing in research and development efforts and fostering collaboration across disciplines, the field of wastewater treatment can continue to evolve and advance towards more sustainable and efficient solutions.