Active Clean Energy

Understanding shale rock swelling for energy systems: novel integrated modelling and experimental approaches

In plain English

AI plain-English summary

Shale rocks swell when they get wet, and that swelling can crack well casings or block underground energy infrastructure. This project combines computer simulations and lab experiments to understand exactly why and how shale expands when exposed to water or high humidity. Current models for shale behaviour are unreliable because the swelling mechanism is poorly understood at the molecular level. The student will build molecular models of the rock, run simulations, and compare them with real experimental data to refine the predictions. If successful, the work will give engineers a more accurate way to predict shale behaviour in the field. That matters for geothermal energy systems, underground gas storage, and carbon capture sites—anywhere that relies on stable rock formations deep underground. The research is fundamental science: it aims to explain a physical process, not to solve an immediate engineering problem. But a clearer understanding of how porous materials swell could eventually lead to better designs for energy infrastructure that must remain safe and stable for decades.

View original technical description
When immersed in solution or exposed to high relative humidity, natural and synthesised porous materials tend to swell. In this project we will use a novel combination of molecular dynamics and grand canonical montecarlo simulations and state-of-art experiments to investigate the swelling mechanism of shale rocks. The student will develop the molecular model for the rocks and perform the simulations and integrate the simulation results with the experimental data for validation and model optimization.

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