Deepika R. Gollamandala and Ileana C. Carpen. Department of Chemical Engineering, Tennessee Tech University, Box 5013, Cookeville, TN 38505
Composite materials are becoming increasingly important in a number of industries, due to their various advantageous properties, a factor that has led to growing interest in the development of new compounds. The combination of nanoparticles and polymers is amongst the most promising of these new materials, but also introduces unique production issues. One of the most troubling of these is the issue of dispersion. Nanoparticles tend to aggregate, and designing a well-mixed system of nanoparticles and polymers is difficult. Experimentally, the level of dispersion is difficult to determine and therefore difficult to alter, but this problem can be avoided by studying the material in silico. By using computer simulations to study systems of nanoparticles and polymers (of varying chain length), we are able to investigate the factors affecting the dispersion of nanoparticles in the monomer/polymer matrix. In particular, we examine the effects of nanoparticle-polymer interactions and volume fractions upon degree of dispersion and agglomeration.