Predicting Adsorption-Induced Deformation in Nanoporous Materials - From Thermodynamic Models to Molecular Simulations

Explore the complex relationship between gas adsorption and structural deformation in nanoporous materials through this 48-minute virtual seminar by Prof. Nicholas Corrente from Rutgers University. Learn how adsorption processes can cause significant structural changes in porous materials and discover the theoretical frameworks and computational methods used to predict these phenomena. Examine thermodynamic models that describe the coupling between adsorption and mechanical deformation, and understand how molecular simulations provide detailed insights into the microscopic mechanisms driving these changes. Gain knowledge about the practical implications of adsorption-induced deformation for applications in gas storage, separation processes, and the design of responsive porous materials. Understand the challenges in accurately modeling these complex systems and explore current research approaches that combine theoretical understanding with advanced computational techniques to predict material behavior under different adsorption conditions.