The Department of Chemical and Biological Engineering is pleased to present student seminars by Jiayang Liu (Snurr group) and Jenna Trost (Dunn group).
Jiayang Liu will present a seminar titled "High-Throughput Identification of Hydrophobic MOFs for CO2 Capture: Integrating Molecular Simulation, Machine Learning, and Experimental Synthesis."
ABSTRACT: Carbon capture and storage (CCS) from industrial flue gas is a critical strategy for mitigating climate change, yet real-world flue gas streams contain significant amounts of water vapor that can severely compromise the performance of many candidate adsorbents. Metal–organic frameworks (MOFs), a class of highly tunable nanoporous materials, have shown great promise for selective CO2 capture, but identifying high-performing, water-stable candidates from the vast space of possible structures remains a major challenge.
In this work, I developed an integrated computational screening workflow to accelerate the identification of MOFs capable of efficient CO2 capture under humid conditions. By combining molecular simulation, machine learning, and experimental synthesis, the workflow moves beyond conventional dry-condition screening to explicitly account for the competitive role of water throughout the screening process. This approach not only delivers experimentally validated high-performance candidates, but also uncovers the structural and chemical design principles that govern CO2 selectivity in the presence of water. The insights gained from this work provide a transferable foundation for the rational design of next-generation adsorbents, advancing the broader goal of deploying MOF-based carbon capture technologies under realistic industrial conditions.
Jenna Trost will present a seminar titled "Navigating Critical Mineral Acquisition Through the Lenses of Policy, Life Cycle Assessment, and Climate Change."
ABSTRACT: The urgency of climate change necessitates a rapid transition from fossil fuels to low-carbon energy systems. Decarbonization technologies - such as electric vehicles and solar photovoltaics - are promising solutions to curb emissions and mitigate climate change. However, these technologies depend on critical minerals, like nickel, lithium, copper, and cobalt, and critical mineral acquisition presents significant challenges. For one, the uneven global distribution of these resources introduces geopolitical complexities and necessitates strategic policy coordination. Moreover, the extraction of critical minerals is predominantly reliant on mining, which is energy-, water-, and land-intensive and often associated with environmental impacts such as water pollution and deforestation. Climate change further compounds these challenges by exacerbating water scarcity in key mining regions.
In this seminar, I examine two key dimensions of critical mineral supply. First, I evaluate how life cycle assessment (LCA) can analyze the sustainability of critical mineral extraction and mineral-dependent technologies. Drawing on a comprehensive literature review and original LCAs of two mining operations, I identify key methodological gaps and propose recommendations to improve LCA. Second, I explore how climate change may affect water availability and the feasibility of future lithium production in the United States. Overall, this work advances more sustainable and robust strategies for securing critical minerals under changing geopolitical and climatic constraints.
Cost: Free
Olivia Wise
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