Interfacial behaviours of ionic fluids : Theory and simulations
(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:
https://lup.lub.lu.se/record/20654168-a036-420d-852e-4c8eb8b7df5c
- author
- Stenberg, Samuel LU
- supervisor
-
- Jan Forsman LU
- Mikael Lund LU
- Björn Stenqvist LU
- opponent
-
- Professor Salanne, Mathieu, Sorbonne University, Paris, France
- organization
- publishing date
- 2022
- 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}}, }