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Interfacial behaviours of ionic fluids : Theory and simulations

Stenberg, Samuel LU (2022)
Abstract
This thesis and the papers included is an \textit{in silico} study of how charged particles interact and behave close to surfaces, and how to treat these interactions in simulations. This type of systems is found in widely different contexts, from capacitors to biological cells. The knowledge about such systems is therefore very important, as it affects many different areas, not in the least in science. In this thesis, new methods on how to include interactions between charged particles and conducting surfaces in simulations are presented. These methods are then used to study how ions interact and behave when confined by surfaces.
Please use this url to cite or link to this publication:
author
supervisor
opponent
  • Professor Salanne, Mathieu, Sorbonne University, Paris, France
organization
publishing date
type
Thesis
publication status
published
subject
keywords
Ionic fluids, Monte carlo, Ewald summation, Thermodynamics, Electrical double layers
pages
140 pages
publisher
Lund University
defense location
Centre for Chemistry and Chemical Engineering, hall A. Join via zoom: https://lu-se.zoom.us/j/68915251456
defense date
2022-05-25 09:15:00
ISBN
978-91-7422-888-5
language
English
LU publication?
yes
id
20654168-a036-420d-852e-4c8eb8b7df5c
date added to LUP
2022-04-29 10:45:02
date last changed
2022-05-02 15:00:57
@phdthesis{20654168-a036-420d-852e-4c8eb8b7df5c,
  abstract     = {{This thesis and the papers included is an \textit{in silico} study of how charged particles interact and behave close to surfaces, and how to treat these interactions in simulations. This type of systems is found in widely different contexts, from capacitors to biological cells. The knowledge about such systems is therefore very important, as it affects many different areas, not in the least in science. In this thesis, new methods on how to include interactions between charged particles and conducting surfaces in simulations are presented. These methods are then used to study how ions interact and behave when confined by surfaces.}},
  author       = {{Stenberg, Samuel}},
  isbn         = {{978-91-7422-888-5}},
  keywords     = {{Ionic fluids; Monte carlo; Ewald summation; Thermodynamics; Electrical double layers}},
  language     = {{eng}},
  publisher    = {{Lund University}},
  school       = {{Lund University}},
  title        = {{Interfacial behaviours of ionic fluids : Theory and simulations}},
  url          = {{https://lup.lub.lu.se/search/files/117382540/Kappa.pdf}},
  year         = {{2022}},
}