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SUMMARY:Water Tales in Nanoscale Environments - Dr Damian Scherlis\, Unive
 rsity of Buenos Aires
DTSTART:20241204T143000Z
DTEND:20241204T153000Z
UID:TALK218320@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Nanoscale confinement alters practically every physical chemic
 al property of water that has been experimentally probed. In pores of 2 or
  3 nm the melting temperature is shifted down by more than 50 C\, whereas 
 the dielectric constant was reported to drop by an order of magnitude. Und
 erstanding the physics and chemistry of water at the nanoscale is critical
  to explain—and control—its behavior in porous materials\, atmospheric
  aerosols\, membranes or protein pockets\, while posing at the same time f
 undamental physical questions. The most usual theoretical framework to dea
 l with confined water is classical thermodynamics. The Young-Laplace or th
 e Kelvin equations\, or Henry's law\, are commonly applied to describe the
  equilibrium properties of water in nanospaces. This is often done with a 
 justified skepticism and without a clear knowledge of the actual limits of
  these relations to capture the nature of water in nanoscopic regimes. Thr
 oughout this talk\, I will review some of our findings emerging from molec
 ular simulations\, including the liquid-gas equilibrium and bubble nucleat
 ion in nanoelectrodes\, consistently showing that macroscopic thermodynami
 cs can be safely applied to describe the behavior of water down to unexpec
 tedly small spatial lengths\, when the dimensions of the nanophase become 
 comparable to the molecular size. Our results suggest that thermodynamics 
 preserves its predictive power as far as the underlying hypothesis\, namel
 y well defined interfaces and homogeneous densities\, be fulfilled in a dy
 namical sense\, through the temporal averaging of the molecular motion. Th
 is establishes a peculiar connection between thermodynamics and time.\n\nR
 eferences:\n\n[1] PNAS 2024 121\, e2406956121\n[2] Nano Lett. 2023 23\, 72
 06 \n[3] Angew. Chem. 2023\, 62\, e202306526\n[4] J. Phys. Chem. Lett. 202
 0 11\, 6573\n[5] J. Am. Chem. Soc. 2014 136\, 4508\n
LOCATION:Unilever Lecture Theatre\, Yusuf Hamied Department of Chemistry
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