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SUMMARY:Making Sense of Electrical Noise by Simulating Electrolyte Solutio
 ns - Professor Benjamin Rotenberg\, Sorbonne University
DTSTART:20231122T143000Z
DTEND:20231122T153000Z
UID:TALK203617@talks.cam.ac.uk
CONTACT:Lisa Masters
DESCRIPTION:Seemingly unrelated experiments such as electrolyte transport 
 through nanotubes\, nano-scale electrochemistry\, NMR relaxometry and Surf
 ace Force Balance measurements\, all probe electrical fluctuations: of the
  electric current\, the charge and polarization\, the field gradient (for 
 quadrupolar nuclei) and the coupled mass/charge densities. Using molecular
  and mesoscopic simulations\, it is possible to predict the fluctuations o
 f these observables from the dynamics of ions and solvent molecules\, ther
 eby enabling experimentalists to decipher the microscopic properties encod
 ed in the measured electrical noise. This presentation will illustrate thi
 s idea\, focusing on quadrupolar NMR relaxation as a probe of subpicosecon
 d collective dynamics in aqueous electrolyte solutions\, and on the link b
 etween the electrode charge fluctuations in nanocapacitors and the dynamic
 s of the interfacial electrolyte.\n\nReferences:\n\nhttps://benrotenberg.g
 ithub.io/erc-senses/\n\nNMR Relaxation Rates of Quadrupolar Aqueous Ions f
 rom Classical Molecular Dynamics Using Force-Field Specific Sternheimer Fa
 ctors.\nI. Chubak\, L. Scalfi\, A. Carof\, and B. Rotenberg\,\nJ. Chem. Th
 eory Comput.\, 17\, 6006 (2021). \nhttps://doi.org/10.1021/acs.jctc.1c0069
 0\n\nQuadrupolar $^{23}$Na$^{+}$ NMR Relaxation as a Probe of Subpicosecon
 d Collective Dynamics in Aqueous Electrolyte Solutions. \nI. Chubak\, L. A
 lon\, E. Silletta\, G. Madelin\, A. Jerschow\, and B. Rotenberg\, \nNature
  Commun.\, 14\, 84 (2023).\nhttps://doi.org/10.1038/s41467-022-35695-3\n\n
 Charge fluctuations from molecular simulations in the constant-potential e
 nsemble.\nL. Scalfi\, D.T. Limmer\, A. Coretti\, S. Bonella\, P.A. Madden\
 , M. Salanne\, B. Rotenberg\, \nPhys. Chem. Chem. Phys.\, 22\, 10480 (2020
 ).\nhttps://doi.org/10.1039/C9CP06285H\n\nMolecular simulation of electrod
 e-solution interfaces. \nL. Scalfi\, M. Salanne\, and B. Rotenberg\, \nAnn
 . Rev. Phys. Chem.\, 72\, 189\, (2021).\nhttps://doi.org/10.1146/annurev-p
 hyschem-090519-024042\n\nFrequency-dependent impedance of nanocapacitors f
 rom electrode charge fluctuations as a probe of electrolyte dynamics. \nG.
  Pireddu and B. Rotenberg. \nPhys. Rev. Lett.\, 130\, 098001\, (2023).\nht
 tps://doi.org/10.1103/PhysRevLett.130.098001\n\nElectrical noise in electr
 olytes: a theoretical perspective\nT. Hoang Ngoc Minh\, J. Kim\, G. Piredd
 y\, I. Chubak\, S. Nair\, B. Rotenberg\,\nto appear in Faraday Discuss. (2
 023)\nhttps://doi.org/10.1039/D3FD00026E\n
LOCATION:Unilever Lecture Theatre\, Yusuf Hamied Department of Chemistry
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