Simulations of Processes At and Across Nanoparticle-Water Interfaces

Abstract

Irradiated nanoparticles (NPs) in aqueous environments, are becoming increasingly relevant to a number of fields, and are especially pertinent to the field of radiotherapy and the nuclear energy sector. The significance of irradiated NPs in aqueous environments stems from the large number of chemical changes that an irradiated NP can cause in the surrounding media, leading to the production of radiolytic species. Radiolytic species of note include the hydroxyl (∙OH) radical, low energy electrons and molecular hydrogen (H2). The ∙OH radical and low energy electrons are used in radiotherapy as a means to cause tumour cell DNA damage, and subsequent tumour cell death. Irradiated NPs are also present in nuclear waste stores, and throughout the nuclear life cycle, the production of H2 as a result of NPs subjected to radiation is particularly important due to the ability to cause pressurisation of nuclear waste storage containers, and the potentially explosive nature of H2. This thesis gives an insight into the current literature regarding NPs in aqueous environments subjected to radiation. This thesis presents research conducted into the processes that occur following NP irradiation in aqueous conditions, the resultant energy depositions and the relationship between the NP electron density and the observed energy deposition.

Date of Award	12 May 2025
Original language	English
Awarding Institution	The University of Manchester
Supervisor	Frederick Currell (Main Supervisor) & Aliaksandr Baidak (Co Supervisor)