Abstract

This dissertation explores the intricate world of soft materials through a powerful synergy of theoretical frameworks and cutting-edge computational simulations. The research investigates how processing history, thermodynamics, and kinetics intertwine to influence the behavior and manipulation of these materials. A cornerstone of the work is the establishment of a generalized Gibbs--Duhem relationship, ensuring thermodynamic consistency within the employed models. This not only clarifies existing ambiguities but also lays the groundwork for future models with a robust thermodynamic foundation. This dissertation explores the influence of processing history on soft materials through three in-depth case studies, unveiling the critical role of processing in shaping material structure. Focusing in the first case on Nonsolvent-Induced Phase Separation (NIPS) in polymeric particles, the research unveils two distinct spinodal decomposition modes: surface-directed and isotropic. The dominant mode dictates the final particle morphology, with solvent/nonsolvent miscibility significantly impacting the overall kinetic behavior. Further exploration in the second case delves into solid-like particles, leveraging a novel technique to create such particles, and control particle wettability. The new model simplifies particle simulations by eliminating the need for complex boundary tracking techniques used in traditional methods. These findings hold significant promise for colloidal applications like emulsion gels. A multi-scale modeling approach is employed in the third case to investigate hydrogel assembly. This approach combines different techniques, offering a preliminary understanding of the connection between solvent exchange and self-assembly processes within hydrogels. This knowledge paves the way for the hierarchical design of hydrogels with precisely controlled structures.

Degree

PhD

College and Department

Ira A. Fulton College of Engineering; Chemical Engineering

Rights

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