Student name: Jaychandra Maurya

RUN-EU institution: Technological University of the Shannon: Midlands Midwest, Ireland

Abstract

As the world moves towards modernisation, the global demand for energy continues to rise. In present, fossil fuels remain the primary energy source, which contributes to increased emissions of non-environmentally friendly gases such as CO₂. These emissions increase global warming, climate change, and environmental challenges. To counter these challenges green hydrogen presents a potential solution to these challenges, offers a cleaner alternative with high energy 140 MJ/kg output and water as the byproduct. However, the efficient and safe storage of hydrogen remains a significant challenge, particularly for large-scale applications. Solid-state hydrogen storage has emerged as a promising solution due to its high energy density, safety, and long-term stability. Among various materials, magnesium (Mg)-based polymer composites have shown significant potential, offering a high hydrogen storage capacity of 7.6 wt% and favourable thermodynamic properties. However, optimising hydrogen absorption and desorption kinetics remains a key challenge. To address this, multiscale modelling is being employed to predict and enhance hydrogen storage behavior in polymer-metal composites. This approach integrates simulations at different length scales, providing insights into hydrogen diffusion mechanisms and material interactions at the atomic and macroscopic levels.

This research focuses on solid-state hydrogen storage using polymer-metal composites, with a strong emphasis on multiscale modeling for material optimisation. Key achievements to date include a comprehensive literature review, selection of suitable polymer-metal composites, and initial modelling and simulation efforts to improve hydrogen storage efficiency. The ongoing work aims to refine multiscale simulations to improve prediction accuracy and optimise material properties. Future efforts will include experimental validation, material enhancements, and scalability assessments for industrial applications. By integrating computational modelling with experimental validation, this research will provide an advanced development of efficient, safe, and scalable solid-state hydrogen storage solutions, contributing to the global transition towards sustainable energy technologies.