Whole System Experimental and Theoretical Modeling Investigation of the Optimal CO2 Stream Composition in the Carbon Capture and Sequestration Chain

This chapter presents the main issues and provides an overview of the experimental and theoretical modeling work carried out as part of the CO₂ QUEST European Commission Collaborative Project tasked with addressing this challenge. A technoeconomic modeling study of power plants with CO₂ capture technologies with focus on process scenarios that deliver different grades of CO₂ product purity was also carried out in this work package. Studying the Vapor-Liquid Equilibrium (VLE) of the mixtures has attracted much attention both in terms of experimental measurements and modeling, but relatively little work has been performed to understand dry ice formation when other gases are present in the CO₂ stream. The chapter describes the theoretical understanding of physical and chemical processes involving impure CO2 in geological storage is developed and validated by embedding it within numerical models for simulating CO2 spreading and trapping and the related coupled thermal–hydrological–chemical processes.