Design guidelines for carbon molecular sieves

Since the discovery of carbon molecular sieves in 1948, significant progress has been made, and their applications have expanded considerably. However, many aspects of the correlation between microscopic pore structures and gas separation properties remain unknown, making development largely a process of trial and error. With the progress of analytical technology and molecular simulation, methods for constructing structural models and analyzing gas permeation behavior have been established. This review provides an overview of the development of carbon molecular sieves and introduces recent research on design guidelines based on molecular simulations, along with examples of their applications.