Multiscale Simulation Methods for CO2 Capture, Storage, and Utilisation

As the urgency to address climate change grows, innovative solutions to reduce atmospheric CO2 are becoming essential. Multiscale Simulation Methods for CO2 Capture, Storage, and Utilisation: From Molecular Insights to Scalable Solutions in Carbon Management introduces advanced simulation methods for modelling the processes controlling CO2 capture, storage, and utilisation (CCSU), from the nano to the macro perspective. Whilst the current literature primarily focuses on the engineering aspects of CCSU, there is a notable lack of helpful learning-focused information on how CO2 conversion and utilization processes can be modelled, understood, quantified, and improved in an effective manner using a molecular-level approach. This book is designed to equip readers with the knowledge and tools to develop and optimize these solutions through advanced modelling techniques. It integrates the latest research and methodologies from traditional physics-based computational chemistry methods, machine learning techniques, and macroscale engineering approaches. It is particularly valuable for computational chemists who are primarily interested in modelling chemical reactions for CO2 conversion but have limited exposure to the engineering aspects and economic costs of these processes. Integrating the latest research and methodologies across multiple disciplines including computational chemistry, materials science, and chemical engineering, Multiscale Simulation Methods for CO2 Capture, Storage, and Utilisation: From Molecular Insights to Scalable Solutions in Carbon Management provides a valuable resource for guiding both academic research and practical applications.