The Fundamentals of Electrostatics

Researcher: James Robert Middleton

Principal Invesigator: Prof. Mojtaba Ghadiri

Co-Investigator(s): Dr Andrew Scott, Prof. Kevin Roberts.

Industrial Supervisor(s):  AstraZeneca (Dr Richard Storey), Malvern (Dr Steve Ward-Smith), Pfizer (Dr Neil Dawnson).

Project Sponsor(s): AsztraZeneca, Malvern, EPSRC.

Status: Ongoing (2018-Present)

Abstract

The triboelectrification of powders is a persistent and perplexing problem in a large number of industrial manufacturing operations. Despite being first observed by the Ancient Greeks, the debate continues about the nature of its fundamental mechanisms. The aim of this project is to investigate how the functional groups exposed at the surface of organic crystals influence their charging propensity. This will be achieved using atomistic computer simulations, such as Molecular Dynamics and Density Functional Theory calculations, to study the fundamental mechanisms of charge transfer. The charge transfer mechanisms, such as electron and ion transfer, are to be modelled at the nanoscale. It is hoped that the work in this project will contribute towards the development of a predictive model that allows the charging behaviour of powder materials to be modelled in silico.