Plastics are deeply embedded in modern life, yet their accumulation in the environment poses a growing global concern. Among the most prevalent are polyethylene terephthalate (PET), used widely in packaging, and polystyrene (PS), common in disposable consumer goods. Traditional waste management methods, such as landfilling and incineration, not only threaten ecosystems but also waste valuable resources. My research addresses this challenge by focusing on chemical recycling—transforming plastic waste into valuable monomers or feedstocks for reuse, supporting a more circular and sustainable plastics economy.
My research is centered on molecular simulation and multi-scale simulation approaches to understand and optimize chemical recycling processes. I use reactive molecular dynamics simulations to uncover the atomic-scale mechanisms by which plastics degrade, tracking intermediate species and reaction pathways during pyrolysis and hydrolysis. These simulations provide a mechanistic foundation for kinetic models, which I validate through comparison with experimental data. By extending these insights into reactor-scale process models, I aim to connect detailed chemical behavior with practical design strategies that guide real-world recycling systems.
One area of special focus is the use of catalysts—such as zeolites in PS pyrolysis—to enhance selectivity and yield of valuable products. These catalyst–polymer interactions are modeled at the molecular level and inform reactor-level decisions related to temperature control, residence time, and energy use. Our approach is not only computational but system-oriented, drawing connections between atomistic understanding, process engineering, and sustainability assessment.
So far, this research has clarified critical degradation mechanisms, validated predictive kinetic models, and demonstrated the feasibility of using simulation tools to design more efficient recycling pathways. The next phase of my work will focus on modeling PET hydrolysis under realistic industrial conditions, exploring the effects of pressure, water content, and temperature—while integrating techno-economic and life-cycle assessments to evaluate broader system impacts.
Teaching Interests:
My teaching interests lie in areas that bridge chemical physics and computational modeling. I am passionate about helping students build strong conceptual foundations in thermodynamics, kinetics, and molecular structure, while also introducing them to modern tools for simulation and modeling. I look forward to teaching courses in physical chemistry, molecular modeling, computational chemistry, and reaction engineering. I am also enthusiastic about developing interdisciplinary, project-based learning experiences that connect molecular-level insights to sustainable engineering solutions, particularly in materials, catalysis, and environmental systems.
Ultimately, my goal is to train the next generation of scientists and engineers to think across scales—from atoms to reactors—and to use modeling as both a predictive and interpretive tool. Whether in the classroom or the lab, I hope to foster curiosity, creativity, and a systems-thinking mindset in students as they tackle complex scientific challenges.
By integrating detailed molecular modeling, experimental validation, and process-level evaluation, my work contributes to a broader vision for sustainable materials management. I see plastic waste not as a liability but as an opportunity to innovate—and I aim to help develop the tools and frameworks that make circular material economies not only possible but practical.