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.
| Original language | English |
|---|---|
| Qualification | Doctor |
| Supervisors/Advisors |
|
| Award date | 2022 May 25 |
| Publisher | |
| ISBN (Print) | 978-91-7422-888-5 |
| Publication status | Published - 2022 |
Bibliographical note
Defence detailsDate: 2022-05-25
Time: 09:15
Place: Centre for Chemistry and Chemical Engineering, hall A. Join via zoom: https://lu-se.zoom.us/j/68915251456
External reviewer(s)
Name: Salanne, Mathieu
Title: Professor
Affiliation: Sorbonne University, Paris, France
---
Subject classification (UKÄ)
- Theoretical Chemistry
Free keywords
- Ionic fluids
- Monte carlo
- Ewald summation
- Thermodynamics
- Electrical double layers