Transport Phenomena in Polymer Membranes: Computational
FOCUS · MAR-W68 · ID: MAR-W68
Presentations
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Relationships between Water Domain Morphology and Diffusivity in Hydrated Ion-conducting Polymers
Invited-In-person · Invited
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Publication: Drayer, W. F., Duan, E. M., Johnson, J. C., Winey, K. I. & Frischknecht, A. L. Investigating Morphology and Diffusion in Simulations of Precise Anion-Conducting Polymers. Macromolecules 2025, 58, 10017-10025.
Oh, S. M., Lee, V. S., Drayer, W. F., Win, M. S., Jones, L. F., Leo, C. M., Kennemur, J. G., Frischknecht, A. L. & Winey, K. I. Effect of Sulfonation Level on the Percolated Morphology and Proton Conductivity of Hydrated Fluorine-Free Copolymers: Experiments and Simulations. JACS Au 2025, 5, 2641-2653.Presenters
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Amalie Frischknecht
- Sandia National Laboratories
Authors
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Amalie Frischknecht
- Sandia National Laboratories
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Interplay of polymer hydrophilicity and charge density on water and ion solubility in hydrated polymer membranes
Oral-In-person
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Presenters
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Paul Irving
- University of Texas at Austin
Authors
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Paul Irving
- University of Texas at Austin
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Connor Coolidge
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Soham Rane
- University of Texas at Austin
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Benny Freeman
- University of Texas at Austin
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Venkat Ganesan
- University of Texas at Austin
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Simulations reveal flow-induced compaction in membranes
Oral-In-person
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Presenters
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Saiprasad Gochhayat
- Pennsylvania State University
Authors
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Saiprasad Gochhayat
- Pennsylvania State University
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Scott Milner
- Pennsylvania State University
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Using chemical heterogeneity and selective attractions to manipulate molecular transport in polymer liquids and networks
Oral-In-person
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Publication: Manuscript under preparation
Presenters
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Gopika Krishnan
- University of Illinois at Urbana-Champaign
Authors
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Gopika Krishnan
- University of Illinois at Urbana-Champaign
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Kenneth Schweizer
- University of Illinois at Urbana-Champaign
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Field-driven Simulations to Probe the Impact of Ionic Correlations on Solution Transport Coefficients in Binary, Ternary and Reciprocal Quaternary Aqueous Electrolytes
Oral-In-person
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Publication: Marioni, N.; Rajesh, A.; Zhang, Z.; Freeman, B.D.; Ganesan, V. Field-driven Simulations to Probe the Impact of Ionic Correlations on Solution Transport Coefficients in Binary, Ternary and Reciprocal Quaternary Aqueous Electrolytes. [In Review]
Presenters
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Nico Marioni
- University of Pennsylvania
Authors
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Nico Marioni
- University of Pennsylvania
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Akhila Rajesh
- University of Texas at Austin
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Zidan Zhang
- University of Texas at Austin
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Benny Freeman
- University of Texas at Austin
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Venkat Ganesan
- University of Texas at Austin
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Nonequilibrium Simulation of Gas Transport in Glassy Polymer Membranes
Oral-In-person
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Presenters
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Sam Layding
- University of Pennsylvania
Authors
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Sam Layding
- University of Pennsylvania
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Entao Yang
- Air Liquide USA
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Zachary Wilson
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Junyi Liu
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Yi Ren
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Pluton Pullumbi
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Robert Riggleman
- University of Pennsylvania
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Decoupling Polymer Rigidity and Penetrant Size Effects on Transport in Hydrated Membrane Systems using Coarse-Grained Simulations
Oral-In-person
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Presenters
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Soham Rane
- University of Texas at Austin
Authors
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Soham Rane
- University of Texas at Austin
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Paul Irving
- University of Texas at Austin
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Venkat Ganesan
- University of Texas at Austin
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Benny Freeman
- University of Texas at Austin
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A Molecular Dynamics Model of Interfacial Polymerization: Growth and Properties of Polyamide Membranes
Oral-In-person
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Presenters
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Cody Hawthorne
- Penn State Department of Chemical Engineering
Authors
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Cody Hawthorne
- Penn State Department of Chemical Engineering
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Scott Milner
- Pennsylvania State University
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Developing Cu<sup>2+</sup>-Selective Pressure Driven Enrichment Technology Using IDA-Functionalized Membranes
Oral-In-person
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Presenters
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Fiona Chen
- Rice University
Authors
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Fiona Chen
- Rice University
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Abdullah Alazmi
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Ravindra Saxena
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Rafael Verduzco
- Rice University
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Mechano-Diffusion of Anisotropic Particles in Deformed Polymer Networks
Oral-In-person
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Presenters
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Jie Ma
- MICHIGAN STATE UNIVERSITY
Authors
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Jie Ma
- MICHIGAN STATE UNIVERSITY
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Shaoting Lin
- Michigan State University
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Impact of Relative Concentration of Sulfonate and Carboxylate Groups on Transport Properties in Ion-Exchange Membranes
Oral-In-person
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Presenters
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Akhila Rajesh
- University of Texas at Austin
Authors
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Akhila Rajesh
- University of Texas at Austin
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Jose Diaz
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Nico Marioni
- University of Pennsylvania
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Gregory Su
- Lawrence Berkeley National Laboratory
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Benny Freeman
- University of Texas at Austin
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Venkat Ganesan
- University of Texas at Austin
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Impact of Zwitterionic Polymer Chemistry and Alkali Metal Identity on the Ion Transport Dynamics of Polymer-Supported Ionic Liquid Electrolytes
Oral-In-person
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Publication: ACS Appl. Energy Mater. 2025, 8, 6, 3314–3326
Presenters
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Meron Y. Tadesse
- University of Texas at Austin
Authors
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Meron Y. Tadesse
- University of Texas at Austin
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Trisha Gorusu
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Nico Marioni
- University of Pennsylvania
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Zidan Zhang
- University of Texas at Austin
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Kazuya Morishita
- University of Texas at Austin
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Venkat Ganesan
- University of Texas at Austin
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Ion Transport in Nanostructured Block Copolymer Membranes for Ion-Selective Separations
Oral-In-person · Withdrawn
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Presenters
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Luis Felipe Caspari Thiele
- Penn State University
Authors
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Luis Felipe Caspari Thiele
- Penn State University
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Ralph Colby
- Pennsylvania State University
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Hee Jeung Oh
- Pennsylvania State University
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