The objective of the project is to study the aggregation of associating polymers through computer simulations and theoretical modeling. The processes to be examined are the aggregation of ionomers in solution, mesophase formation in liquid crystalline polymers and the formation of reverse micelles and microemulsions. The unique properties of these systems make them important materials in such fields as oil recovery, lubrication, corrosion control and electronics, as well as having pharmaceutical applications in the areas of drug delivery and controlled release. All the materials above derive their unusual characteristics from the fact that they are composed of molecules that interact in solution and associate into various well-defined aggregates. The purpose of this study is to understand how the geometry of the associating molecules determines the structures that are formed. In order to study how the size and shape of an aggregate evolves and is affected by various parameters, the computer simulations developed to study diffusion-limited aggregation (DLA) will be used. By understanding the factors that influence the microstructure (the aggregate), it is hoped that we can govern their morphology and in turn control the macroscopic properties of these materials. Thus, the results will be generated with the goal that they can be used in tailoring new materials for a variety of technological applications.
