Wastewater treatment stands as a critical component in mitigating environmental pollution and safeguarding public health. This review delves into the pivotal role of chemical engineering simulations in advancing wastewater treatment technologies towards enhanced environmental sustainability. The modernization of wastewater treatment processes necessitates a comprehensive understanding of the complex physical, chemical, and biological interactions involved. Chemical engineering simulations offer a powerful toolset for modeling and optimizing these processes with a focus on efficiency, effectiveness, and sustainability. Firstly, simulations enable the prediction and analysis of pollutant removal mechanisms within treatment systems. By simulating various operating conditions and configurations, engineers can optimize treatment processes to achieve higher removal efficiencies while minimizing resource consumption and waste generation. Secondly, simulations aid in the design and development of innovative treatment technologies, such as membrane filtration, advanced oxidation processes, and biological nutrient removal systems. Through computational modeling, engineers can assess the performance and feasibility of these technologies under different scenarios, facilitating informed decision-making and accelerating their implementation. Furthermore, chemical engineering simulations play a crucial role in addressing emerging challenges in wastewater treatment, including the removal of emerging contaminants such as pharmaceuticals, microplastics, and endocrine-disrupting chemicals. By simulating the behavior of these contaminants within treatment systems, engineers can devise targeted strategies for their removal, thus mitigating their adverse environmental and public health impacts. Chemical engineering simulations serve as indispensable tools for advancing wastewater treatment technologies towards greater environmental sustainability. By facilitating the optimization, design, and innovation of treatment processes, simulations contribute to the development of more efficient, cost-effective, and environmentally friendly solutions for managing wastewater and protecting our ecosystems. Embracing these simulation-driven approaches is essential for achieving the ambitious goals of sustainable development and ensuring a cleaner, healthier future for generations to come.

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