Event Title
Location
Cherry Auditorium, Kirk Hall
Start Date
3-8-2018 12:45 PM
Description
In this talk, I will give an overview of our recent efforts on modeling liquid and solid phases of ionic liquids (ILs) and deep eutectic solvents (DESs), both in the bulk and inside nanoporous materials. These systems are relevant to potential applications as electrolytes in electrochemical double-layer capacitors and dye-sensitized solar cells, and in CO2 capture and separations. In addition, mixtures of ILs or DESs with hydrofluorocarbon refrigerants could be used in absorption refrigeration systems that are partially powered by waste or solar heat. Furthermore, solidification of ILs in the bulk and inside nanopores is one step in the synthesis of IL-based nanomaterials with desired properties (e.g., optical/magnetic activity). Classical molecular dynamics simulations, and in some cases calculations using COSMO-based models, were used to fundamentally understand the properties of ILs and DESs inside nanopores, to study the nucleation of solid phases of ILs in the bulk and near surfaces, and to computationally evaluate working mixtures for absorption refrigeration cycles.
Speaker Bio
Francisco R. Hung is an Associate Professor in the Department of Chemical Engineering at Northeastern University since Fall 2016. Prior to his current appointment, he was the Paul M. Horton Associate Professor and Director of Graduate Studies in the Cain Department of Chemical Engineering, and an Adjunct in the Center for Computation and Technology at Louisiana State University. He has an undergraduate degree in Chemical Engineering from Universidad Simón Bolívar in Caracas, Venezuela, and a PhD in Chemical Engineering from North Carolina State University. He then worked as a postdoctoral researcher in the Department of Chemical and Biological Engineering at the University of Wisconsin-Madison, and joined the faculty at LSU in Fall 2007. Honors include a CAREER Award from the National Science Foundation in 2013, an LSU Rainmaker Emerging Scholar Award in 2014, and a Ralph E. Powe Junior Faculty Enhancement Award from Oak Ridge Associated Universities in 2008. His research program is focused on investigating different systems involving mixtures and interfaces using molecular simulation. Current research interests in his group include ionic liquids and deep eutectic solvents, nanoporous materials, organics in environmental interfaces and crystal nucleation. His research is relevant to applications in advanced manufacturing, nanomaterials, separations, energy storage and environmental chemistry.
Molecular modeling of ionic liquids and deep eutectic dolvents in the bulk and inside nanoporous materials
Cherry Auditorium, Kirk Hall
In this talk, I will give an overview of our recent efforts on modeling liquid and solid phases of ionic liquids (ILs) and deep eutectic solvents (DESs), both in the bulk and inside nanoporous materials. These systems are relevant to potential applications as electrolytes in electrochemical double-layer capacitors and dye-sensitized solar cells, and in CO2 capture and separations. In addition, mixtures of ILs or DESs with hydrofluorocarbon refrigerants could be used in absorption refrigeration systems that are partially powered by waste or solar heat. Furthermore, solidification of ILs in the bulk and inside nanopores is one step in the synthesis of IL-based nanomaterials with desired properties (e.g., optical/magnetic activity). Classical molecular dynamics simulations, and in some cases calculations using COSMO-based models, were used to fundamentally understand the properties of ILs and DESs inside nanopores, to study the nucleation of solid phases of ILs in the bulk and near surfaces, and to computationally evaluate working mixtures for absorption refrigeration cycles.
Comments
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