Computational Modeling for Sustainability
[Alaina Rumrill] Dr. Emily Ryan’s pioneering work in computational modeling at Boston University stands at the forefront of efforts to enhance global sustainability [1]. As an expert in thermal fluids, reactive transport, electrochemistry, and various other systems, Dr. Ryan leverages computational methods to unravel the complexities of energy systems without the need for physical experiments. By using advanced computer simulations, she explores how materials interact and predicts their future behaviors under different conditions.
Dr. Ryan’s research delves into the realm of computational science, incorporating elements of machine learning and data science. Her models operate at the continuum scale, examining the movement of ions and other entities through bulk materials due to processes like diffusive transport [1]. This approach, known as computational fluid dynamics, is particularly suited to studying interfacial phenomena—the interactions that occur when multiple materials converge. By focusing on these interfaces, Dr. Ryan’s models shed light on how materials transfer and react, how heat builds up, and the underlying physics that can inform the design of better materials and systems [1].
Her sustainability journey began with a passion for thermal fluids and renewable energy technologies. Working at an energy services company, Dr. Ryan saw firsthand how fluid dynamics, heat transfer, thermodynamics, and chemistry converge in various energy systems, from power plants to vehicles [1]. This experience sparked her interest in renewable technologies such as solar cells and wind turbines, driving her commitment to sustainable innovation.
Dr. Ryan’s work is notable for its integration of machine learning, which accelerates the design of new materials—a process that traditionally takes decades. High-performance computer models, while detailed and time-consuming, provide invaluable data that can train machine learning algorithms to deliver insights more rapidly [1]. This synergy between computational models and machine learning enhances efficiency, allowing for quicker advancements in material design. However, Dr. Ryan emphasizes the importance of not overlooking the fundamental physics of materials. While machine learning offers significant benefits, physical experiments remain crucial for validating computational predictions and ensuring accuracy. Through her innovative computational modeling and dedication to sustainability, Dr. Emily Ryan continues to make significant contributions to energy systems and material science, paving the way for a more sustainable future.
Next-Generation Batteries
Dr. Emily Ryan’s cutting-edge research on next-generation batteries, specifically metal-air and lithium-air batteries, holds promise for revolutionizing energy storage. Unlike the lithium-ion batteries currently used in smartphones, which have seen significant performance improvements over time, metal-air batteries offer a potential leap forward in energy density and capacity, crucial for the widespread adoption of electric vehicles and grid-level renewable energy storage [1].
Lithium-air batteries, a focus of Dr. Ryan’s work, possess an order of magnitude greater energy density than traditional lithium-ion batteries [1]. The key to this impressive potential lies in their use of lithium metal, which is highly reactive. However, this reactivity also leads to challenges, particularly at the battery interface where instability can occur during operation.
Dr. Ryan’s research zeroes in on this critical interface, addressing a major issue known as dendrite growth. Ideally, lithium ions should plate and strip uniformly from the battery surface, ensuring smooth and efficient operation. In reality, lithium tends to deposit unevenly, forming dendrites—tree-like structures that can lead to performance degradation and catastrophic battery failure [2]. The interplay between ion transport drives these dendrites to the interface and the electrochemical reactions occurring there.
Through computational modeling, Dr. Ryan explores these intricate processes at the interface. Her models simulate various physical changes and their impacts on the system, allowing her to conduct thousands of virtual experiments. This approach is far more efficient than experimental methods, enabling the identification of promising designs before physical prototypes are built.
Dr. Ryan’s work is highly interdisciplinary, benefiting from collaboration with experts across multiple fields including physics, mathematics, biology, chemistry, and computer science [1]. This collaborative effort underscores the complexity and potential of next-generation batteries, highlighting the need for diverse expertise in achieving groundbreaking discoveries.
By advancing our understanding of lithium-air batteries and their interfaces, Dr. Emily Ryan’s research paves the way for more efficient and stable energy storage solutions, essential for the future of sustainable energy and electric transportation.
Carbon Capture
Carbon dioxide (CO2) is a naturally occurring gas essential for life on Earth, produced through processes such as respiration and the decay of organic matter. However, human activities, particularly the burning of fossil fuels and industrial processes, have significantly increased CO2 levels, contributing to the greenhouse effect and exacerbating the climate crisis [3]. Dr. Emily Ryan’s research focuses on mitigating these effects through innovative carbon capture technologies.
Dr. Emily Ryan is a key participant in the Carbon Capture Simulation Initiative for Industry Impact, a collaboration among national laboratories and academic institutions aimed at advancing carbon capture technologies using computational modeling [1]. Carbon capture involves extracting CO2 from gas streams, such as the exhaust from power plants (point source carbon capture), or directly from the atmosphere (direct air capture) [1]. The goal is to reduce the amount of CO2 entering the atmosphere and to find ways to sequester it safely, often by storing it underground.
Dr. Ryan’s work employs advanced computer models to simulate these processes. She uses computational methods to analyze reaction rates, heat generation, gas flow, and temperature changes within chemical reactors [1]. This detailed modeling helps determine the optimal catalysts and materials for effective carbon capture. By integrating chemistry and chemical engineering principles, her research aims to develop practical, scalable solutions for reducing atmospheric CO2.
In addition to carbon capture, Dr. Ryan’s research explores sustainability through the study of interfacial phenomena—the behaviors at the boundaries where different phases meet. Her projects include embedding photocatalysts into polymer materials for water filtration, breaking down pollutants like antibiotics, and upgrading biofuels from waste products [1]. These applications have significant environmental implications, demonstrating the potential of computational modeling to address diverse sustainability challenges.
Climate change is not only a scientific issue but also a major policy concern. Effective strategies to combat climate change must balance the transition to cleaner energy sources with the needs of communities dependent on fossil fuels. Dr. Ryan’s involvement with the Institute for Global Sustainability highlights the interdisciplinary nature of her work, encompassing both scientific research and policy advocacy [1]. Her efforts contribute to creating equitable and just solutions for a sustainable future.
Through her innovative approach to carbon capture and sustainability, Dr. Emily Ryan is making significant strides in the fight against climate change, demonstrating the power of computational modeling to drive environmental progress.
Learn More
If you’d like to hear more about Dr. Emily Ryan’s journey and her career using computational modeling, visit us on Spotify, Apple Podcasts, and many other streaming services to listen to our ChemTalk Podcast with Dr. Emily Ryan, an Associate Professor of Mechanical Engineering and Associate Director for the Institute for Global Sustainability at Boston University.
Find the ChemTalk podcast here.
Works Cited
[1] Ryan, Emily. Personal Interview. Conducted by Ankur Rao and Yeongseo Son. 18 August 2023.
[2] Proffitt, Allison. “Battery Power Online: A Look inside Your Battery: Watching the Dendrites Grow.” Battery Power Online |, August 28, 2020. https://www.batterypoweronline.com/news/a-look-inside-your-battery-watching-the-dendrites-grow/\ .
[3] “Causes of Climate Change.” Climate Science Investigations South Florida – Causes of Climate Change. Accessed July 7, 2024. https://www.ces.fau.edu/nasa/module-4/causes/sources-carbon-dioxide.php .