(36c) Advances in Molecular Modeling of Bulk and Interfacial Phase Behavior and Microstructure in Copolymers and Associating Fluids
AIChE Spring Meeting and Global Congress on Process Safety
Thermodynamics in Chemical Engineering: Prospects and Perspectives - Fundamentals of Simulation and Theory
Monday, April 7, 2008 - 9:10am to 9:45am
Many modern applications of macromolecular fluids take advantage of their novel microstructure and phase behavior. The challenge in modeling nanostructured fluids lies in understanding the new physics that emerges from finite-size effects, varying dimensionality, surface forces and interplay of multiple length and time scales. Over the past twenty years, significant advances in statistical mechanics have provided engineers with accurate equations of state for bulk phase behavior of mixtures containing associating and polymeric components. More recently, developments in statistical mechanics are providing scientists and engineers with valuable tools to correlate and predict bulk and interfacial phase behavior and microstructure in these complex systems. Insights will be provided in the development of these theories. Opportunities for applications and extension of these models also will be discussed along with future challenges.