Toward Intelligent and Sustainable Membrane Engineering: Integrating Computational Fluid Dynamics, Machine Learning, and Material Assessment

Abstract

Membrane technologies play a role in water treatment, energy conversion, and industrial separation processes; however, their performance is limited by fouling, polarization phenomena, transport inefficiencies, and energy consumption. This study presents a review of the integration of computational fluid dynamics and machine learning in membrane technologies, complemented by an environmental and engineering assessment of representative membrane materials. A systematic literature screening based on PRISMA guidelines was conducted using the Scopus (Elsevier B.V., Amsterdam, The Netherlands) and Web of Science (Clarivate, Philadelphia, PA, USA) databases, yielding 1421 records, of which 54 studies met the predefined relevance criteria. The analysis revealed a transition from conventional physics-based approaches toward hybrid simulation–machine learning frameworks, with artificial neural networks, surrogate models, and optimization emerging as the dominant methodologies. Energy consumption was identified as the most frequently investigated variable, particularly in desalination, fuel cell, electrodialysis, and hydrogen production systems. A complementary material-level assessment showed that conventional polymeric membranes, especially polyamide-based systems, remain dominant due to their performance and economic feasibility, whereas advanced materials such as graphene, carbon nanotubes, and perovskites offer promising functional properties but face challenges. The findings highlight the potential of integrated simulation–machine learning–material assessment frameworks to accelerate the development of intelligent and sustainable membrane technologies for future applications.