MOLECULAR ENGINEERING OF MICROPOROUS CRYSTALLINE MATERIALS FOR LIQUID SEPARATION

Abstract

At present, separation of chemicals is largely based on traditional thermal-driven technologies, such as distillation and stripping. It accounts for a significant portion of energy consumption and capital costs in the chemical and petrochemical industries. Transition from traditional thermal-driven to membrane-based separation can avoid energy-intensive liquid-to-vapor phase transition, thus making separation more energy-efficient and environmentally friendly. To achieve efficient separation, it is crucial for membranes to possess properly sized pores for rapid permeation, as well as a narrow pore size distribution to discriminate molecules of similar sizes. In this context, microporous crystalline materials are of enormous potential to be developed into membranes because of their highly ordered pore structures and well-defined pore sizes. The objective of this thesis is to explore the utilization of various microporous crystalline materials for liquid separation via molecular simulations, as well as to provide microscopic insights into these separation processes through microporous membranes.