Optimizing the Performance of Fibrous Polymer Materials via Molecular Simulations

Reception at 3:30 p.m. in the GTMI Atrium

Abstract:

Nanoscale (molecular) simulations are valuable in macromolecular science since they can be employed, in conjunction with complementary experiments, to predict, tune, and optimize the physical and chemical properties of polymeric materials.  Conditions that we investigate include chemical composition of the system, variations in temperature or pressure, application of strain or shear, and changes to the local chemical environments, such as the presence of moisture, air, UV light, additives, coatings, and interfaces. We will specifically discuss the role of processing parameters on the mechanical properties of bicomponent fibers, as well as the use of chemical modifications to tune surface/interfacial functionality and surface characteristics such as chemical repellency.

Biography:

Prof. Melissa Pasquinelli is Associate Department Head and Director of Graduate Programs in the Department of Textile Engineering, Chemistry, and Science at North Carolina State University; she is also a University Faculty Scholar and an Alumni Distinguished Undergraduate Professor. Her research team develops and applies a variety of computational techniques that predict how molecular structures and the dynamics of molecular systems relate to their functional roles, including how they may be affected by thermodynamics, the local chemical environment, and the physical environment. She relishes that she gets to balance her professional time between working on scientific research projects and teaching and mentoring budding engineers and scientists. She received her Ph.D. in chemistry from Carnegie Mellon University and also did postdoctoral studies at Duke University and the U.S. EPA.

The Laboratory of Multiscale Modeling from the Nanoscale