Student(s): Zach Ostrand
Project: Microplastic-Water Interactions in the Atmosphere from molecular Simulations | View Poster (PDF)
Major(s): Chemical Engineering (Computer Science, Philosophy, Law, & Public Policy minors)
Advisor(s): Thomas Gartner
Abstract
Microplastics have emerged as a significant environmental concern due to their global presence. Recently, microplastic particles have been discovered in the atmosphere, though their atmospheric assembly behavior and possible impacts on climate processes is largely unknown. In this work, we study the potential effects of atmospheric microplastics on climate using molecular dynamics simulations. In particular, we aim to understand how the presence of microplastic particles may affect water phase behavior and droplet nucleation, relevant to cloud dynamics and precipitation. We pair the ML-BOP coarse-grained water model with typical bead-spring polymers to provide a preliminary look at water-microplastic interactions. First, we show that ML-BOP, despite being designed to model water’s condensed phases, reasonably predicts water’s liquid-vapor phase behavior. We then simulate ML-BOP in the presence of polymers of varying hydrophobicity to evaluate the polymers’ impact on water phase behavior and liquid droplet nucleation. To enhance accuracy and enable more detailed polymer representations, we employ conventional atomistic water models to complement ML-BOP, providing chemically-specific information on polymer-water interactions Understanding such interactions is crucial for predicting climate trends and developing strategies to mitigate the global impact of microplastic pollution.
About Zach Ostrand
Zach Ostrand is a junior from Milwaukee, WI studying Chemical Engineering at Lehigh University with minors in Computer Science and Philosophy, Law, & Public Policy. He conducts molecular dynamics research under Professor Thomas Gartner. Zach is in his third semester of studying polymer-water interactions and phase change effects to understand the climate implications of microplastics in the environment. This summer, he will intern at NexantECA, an energy and chemicals advisory firm, within their consulting group. Outside of academics, Zach is deeply involved in the Lehigh Outing Club and enjoys cooking and reading.