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Molecular Dynamics (MD)
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Classroom Contents
Water Transport in Boron Nitride Nanotube Membranes
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- 1 Water transport in boron nitride nanotube membranes
- 2 Global challenge of water scarcity
- 3 Particle rejections in BNNTs
- 4 Do BNNTs allow higher water flow than CNTs?
- 5 The desirability of flow resistance
- 6 Theoretical guessworks on resistance
- 7 Molecular Dynamics (MD)
- 8 MD simulation setups
- 9 Results: End resistance
- 10 Pore termination
- 11 Partial charges conundrum in literature
- 12 Results: Nanotube flow resistance
- 13 Results: Experimental comparisons
- 14 Understanding the literature
- 15 Conclusions
- 16 Acknowledgments
