Explore water transport in boron nitride nanotube membranes through this 21-minute Lennard-Jones Centre discussion group seminar by Sritay Mistry from the University of Edinburgh. Delve into the contradictions between simulation studies and experimental data regarding the efficiency of boron nitride nanotubes (BNNTs) compared to carbon nanotubes (CNTs) for water transport. Analyze the framework of resistance to flow, examining factors such as pore end configuration, membrane length, and BNNT atom partial charges. Understand the limitations of short nanotube simulations and their impact on resistance calculations. Discover why CNTs consistently demonstrate lower nanotube flow resistance and faster water transport at laboratory scale. Learn about the significant role of partial charges on BN atoms in determining nanotube flow resistance. Gain insights into a more accurate approach for comparing simulation results with experiments for nanotube membranes. The seminar, held on May 9, 2022, covers topics including the global challenge of water scarcity, particle rejections in BNNTs, theoretical guesswork on resistance, Molecular Dynamics (MD) simulation setups, and experimental comparisons.
Overview
Syllabus
Water transport in boron nitride nanotube membranes
Global challenge of water scarcity
Particle rejections in BNNTs
Do BNNTs allow higher water flow than CNTs?
The desirability of flow resistance
Theoretical guessworks on resistance
Molecular Dynamics (MD)
MD simulation setups
Results: End resistance
Pore termination
Partial charges conundrum in literature
Results: Nanotube flow resistance
Results: Experimental comparisons
Understanding the literature
Conclusions
Acknowledgments
Taught by
Cambridge Materials
