Molybdenum complexation in chloride- and hydrosulphide- bearing hydrothermal fluids: Insights from ab initial molecular dynamics simulations

Everything in the material world is made up of molecules, both solid things, liquids and gases. In this thesis, I take a close-up look at several different molecules, composed of atoms such as molybdenum, chlorine, sulphur, oxygen and hydrogen. By using a very powerful computer and software based on mathematical approaches, I model how these molecules behave in geological environments, where they are influenced by high temperature and pressure. The aim of this work is to gain more knowledge about the processes related to the formation of metal enrichments deep in the earth crust.