An Industry Wish List for Molecular Modeling and Process Simulation of Membrane Separation Processes

(Note: This abstract is submitted for presentation at a virtual conference. The authors are unable to travel during the year of a global pandemic.)

The chemicals industry strives to produce high purity products while minimizing inputs such as feedstocks and energy. Separations are a key component to reaching these goals. Many separations processes require phase transitions that are energy intensive. Membranes present an enticing separation technique that avoids such transitions. However, engineers require a high degree of confidence in a unit operation before it will be used in a production facility. Molecular modeling and process simulations can play a key role in accelerating membrane adoption. This presentation reviews some of the opportunities where liquid separating membranes could be used and discusses the derisking process that occurs before adoption into a chemical facility.