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SUMMARY:Field-theoretic Formulation of Ion Correlations with Explicit Hard
 -Core Size in Aqueous and Non-Aqueous Electrolytes
DTSTART;VALUE=DATE-TIME:20260417T161000Z
DTEND;VALUE=DATE-TIME:20260417T163000Z
DTSTAMP;VALUE=DATE-TIME:20260411T123923Z
UID:indico-contribution-331@fisindico.uniandes.edu.co
DESCRIPTION:Speakers: Sahin Buyukdagli (Associate Professor\, Bilkent Univ
 ersity)\nThe accurate formulation of ion correlations in charged solutions
  is a critical task for the control of various biological and industrial p
 rocesses ranging from ion transport through cells to water purification pr
 ocedures. The theoretical tools enabling the comprehension of these system
 s is based on the Debye-Hückel (DH) theory suffering from major limitatio
 ns [1]. Namely\, the validity of the DH formalism neglecting the ionic har
 d-core (HC) size and including exclusively electrostatic weak-coupling-lev
 el ion correlations is limited to the characterization of monovalent salts
  at dilute concentrations.\n\nIn this talk\, I will present an ion size-au
 gmented self-consistent DH (SCDH) theory of bulk electrolytes exploiting t
 he asymmetric incorporation of the short- and long-range ion interactions 
 via their virial and cumulant-level treatment\, respectively [2\,3]. The u
 nderlying variational splitting of the distinct interaction ranges enables
  the accurate prediction of ionic activity coefficients\,\ninternal energi
 es\, osmotic pressures\, and radial distribution functions of aqueous and 
 non-aqueous electrolytes up to molar salt concentrations. \n\n[1] P. Debye
  and E. Hückel\, "The theory of electrolytes. I. Lowering of freezing poi
 nt and related phenomena"\, Zur Theorie der Elektrolyte. Phys. Z. 24\, 185
  (1923).\n[2] S. Buyukdagli\, "Self-consistent electrostatic formalism of 
 bulk electrolytes based on the asymmetric treatment of the short- and long
 -range ion interactions"\, Soft Matter 20\, 9104 (2024).\n[3] S. Buyukdagl
 i\, "Unified theory of equilibrium thermodynamics and ion association in a
 queous and non-aqueous electrolytes with explicit hard-core size"\, J. Che
 m. Theory Comput. 22\, 831 (2026).\n\nhttps://fisindico.uniandes.edu.co/ev
 ent/23/contributions/331/
LOCATION:
URL:https://fisindico.uniandes.edu.co/event/23/contributions/331/
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