Computational Fluid Dynamics for Membrane-Based Gas Separation Systems: Recent Advances, Critical Challenges, and Future Perspectives

Computational Fluid Dynamics (CFD) is recognized for optimizing transport pathways in membrane-based gas separation systems by visualizing flow behavior, pressure distributions, concentration polarization, and mass transfer. CFD has contributed to the design and improved performance of membranes used in carbon capture, hydrogen purification, natural gas sweetening, biogas upgrading, and oxygen improvement. This review examines recent advances in CFD applications for membrane-based gas separation technologies, including transport equations, numerical modelling strategies, turbulence models, Multiphysics coupling, and membrane module geometries commonly used in CFD, which are hollow fiber, flat-sheet, spiral-wound, and tubular membrane configurations. Recent developments in artificial intelligence-assisted CFD, machine-learning optimization, digital twin concepts, and high-performance computing are discussed to improve predictive capability and computational efficiency. The review also recognizes the current limitations of CFD modelling, including model validation, computational cost, uncertainty quantification, and the representation of complex membrane fouling and aging phenomena. Finally, future research directions are proposed to fill the gap between laboratory-scale simulations and industrial implementation through integrated experimental validation, data-driven modelling, and advanced multiscale simulation frameworks, which provide researchers and engineers with the development of next-generation membrane gas separation systems and highlight future opportunities to acquire energy-efficient, reliable, and sustainable gas separation processes.