Interfacial behaviours of ionic fluids : Theory and simulations
Author
Summary, in English
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.
Department/s
Publishing year
2022
Language
English
Full text
Document type
Dissertation
Publisher
Lund University
Topic
- Theoretical Chemistry
Keywords
- Ionic fluids
- Monte carlo
- Ewald summation
- Thermodynamics
- Electrical double layers
Status
Published
Supervisor
ISBN/ISSN/Other
- ISBN: 978-91-7422-888-5
Defence date
25 May 2022
Defence time
09:15
Defence place
Centre for Chemistry and Chemical Engineering, hall A. Join via zoom: https://lu-se.zoom.us/j/68915251456
Opponent
- Mathieu Salanne (Professor)