(2ma) Integrating Simulations and Experiments to Elucidate Ion and Small Molecule Transport in Polymeric Materials | AIChE

(2ma) Integrating Simulations and Experiments to Elucidate Ion and Small Molecule Transport in Polymeric Materials

Authors 

Zofchak, E. - Presenter, The University of Texas at Austin
Research Interests:

Polymeric materials are ubiquitous across next generation energy storage, chemical separation, and water treatment technologies, yet a comprehensive understanding connecting molecular-level interactions to their macroscopic properties remains elusive. My research program will employ a multidisciplinary and multiscale approach leveraging molecular simulations, material synthesis, and experimental characterization to establish a comprehensive picture of ion and solute transport in polymeric systems.

Research Experience:

My multidisciplinary research background consisting of molecular dynamics simulations, polymer synthesis, and membrane characterization uniquely qualifies me to solve problems related to the water-energy nexus. As an undergraduate researcher at the Pennsylvania State University, I worked with Dr. Robert Hickey in the Materials Science Department studying polymerization-induced nanostructural transitions in diblock copolymer/monomer blends using an array of thermal, spectroscopic, and scattering-based characterization techniques. At the University of Texas at Austin, my PhD work with Dr. Benny Freeman and Dr. Venkat Ganesan focused on using atomistic molecular dynamics simulations and fundamental membrane characterization techniques to probe ion transport in hydrated polymer membranes exhibiting ion-specific interactions. During this time, I created workflows to estimate ion partition and diffusion coefficients from molecular dynamics simulations, allowing me to elucidate the origins of the anomalously high lithium/sodium selectivity observed in crown ether functionalized membranes. Additionally, I developed procedures to experimentally determine ion partition coefficients from aqueous mixtures and derived models to rationally predict these partition coefficients from single salt material properties without the use of adjustable parameters.

Beyond my work at the University of Texas, I am currently working as a membrane scientist at EnergyX, an Austin-based startup, where I am developing and characterizing novel ion exchange chemistries for resource recovery applications. This experience has allowed me to further refine my skills as a researcher, as well as propose scalable solutions to real world problems.

Teaching Statement:

I have continually sought teaching and mentorship opportunities throughout my undergraduate and graduate career. At the Pennsylvania State University, I worked in the Mathematics department as a Calculus I and II learning assistant. I was tasked with organizing “Orals”, where on weekends I would dictate calculus questions to groups of four to six students and guide them to the correct solution strictly through verbal communication. Through this opportunity I learned to maximize student learning and confidence by selecting questions near the edge of their abilities, and by having them explain their thought processes to each other. I carried this same approach into my undergraduate thermodynamics Teaching Assistant duties at the University of Texas at Austin, where I held widely attended recitations and office hours. Additionally, I have mentored several undergraduate and graduate students in both experimental and computational research. I have been incredibly fortunate to have excellent mentors in my life and feel strongly about repaying that debt.

My degrees in Chemical Engineering and Materials Science have prepared me to teach any of the core chemical engineering courses at both the undergraduate and graduate levels. I am particularly passionate about teaching thermodynamics, transport phenomena, and materials science courses. Beyond the core curriculum, I would like to develop a course targeted towards graduate and advanced undergraduate students on mass transport in polymers.