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Interfacial behaviours of ionic fluids : Theory and simulations

In English

Författare

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.

Avdelning/ar

Publiceringsår

2022

Språk

Engelska

Dokumenttyp

Doktorsavhandling

Förlag

Lund University

Ämne

  • Theoretical Chemistry

Nyckelord

  • Ionic fluids
  • Monte carlo
  • Ewald summation
  • Thermodynamics
  • Electrical double layers

Status

Published

ISBN/ISSN/Övrigt

  • ISBN: 978-91-7422-888-5

Försvarsdatum

25 maj 2022

Försvarstid

09:15

Försvarsplats

Centre for Chemistry and Chemical Engineering, hall A. Join via zoom: https://lu-se.zoom.us/j/68915251456

Opponent

  • Mathieu Salanne (Professor)