BEGIN:VCALENDAR VERSION:2.0 PRODID:-//DTU.dk//NONSGML DTU.dk//EN CALSCALE:GREGORIAN BEGIN:VEVENT DTSTART:20201001T070000Z DTEND:20201001T080000Z SUMMARY:CERE Seminar by John P. O’Connell DESCRIPTION:

Correlation Function Theory for Electrolyte Solutions

\n

 

\n
Due to the Corona situation the seminar will be held virtually.
\n
\n

\nIf you wish to follow the seminar you will have to sign up by sending an 
\ne-mail to Christian Ove Carlsson cc@kt.dtu.dk
\n
\n
hereafter you will receive an invitation to join the virtual seminar.
\n

 

\n

John P. O’Connell
\nProfessor Emeritus, University of Virginia
\nCharlottesville, VA USA
\nResearch Scholar in Residence, California Polytechnic State University, San Luis Obispo, CA USA

\n

\n
\nAbstract:
\nMany theories have been proposed for modeling the thermodynamic properties of electrolyte solutions.

\n

However, there are still uncertainties in both fundamentals and applications. An approach that showed some promise, but has not been extensively explored, uses fluctuation solution theory (FST) which is based on statistical mechanical correlation functions.

\n

The method yields both solution densities and derivatives of activity coefficients which are analytically integrable. For electrolytes, the formulation rigorously combines contributions from ions and separates their long-range and short-range interactions.

\n

The seminar will describe the basics of FST, show its relations for strong electrolytes, give some results for a variety of aqueous salt solutions, and suggest potential improvements.

X-ALT-DESC;FMTTYPE=text/html:

Correlation Function Theory for Electrolyte Solutions

\n

 

\n
Due to the Corona situation the seminar will be held virtually.
\n
\n

\nIf you wish to follow the seminar you will have to sign up by sending an 
\ne-mail to Christian Ove Carlsson cc@kt.dtu.dk
\n
\n
hereafter you will receive an invitation to join the virtual seminar.
\n

 

\n

John P. O’Connell
\nProfessor Emeritus, University of Virginia
\nCharlottesville, VA USA
\nResearch Scholar in Residence, California Polytechnic State University, San Luis Obispo, CA USA

\n

\n
\nAbstract:
\nMany theories have been proposed for modeling the thermodynamic properties of electrolyte solutions.

\n

However, there are still uncertainties in both fundamentals and applications. An approach that showed some promise, but has not been extensively explored, uses fluctuation solution theory (FST) which is based on statistical mechanical correlation functions.

\n

The method yields both solution densities and derivatives of activity coefficients which are analytically integrable. For electrolytes, the formulation rigorously combines contributions from ions and separates their long-range and short-range interactions.

\n

The seminar will describe the basics of FST, show its relations for strong electrolytes, give some results for a variety of aqueous salt solutions, and suggest potential improvements.

URL:https://www.cere.dtu.dk/calendar/2020/10/cere-seminar-by-john-p-oconnell DTSTAMP:20260522T143700Z UID:{0F8BDC2C-886B-48CC-8789-B49E38AB70CE}-20201001T070000Z-20201001T070000Z LOCATION: Online END:VEVENT END:VCALENDAR