Molecular Thermodynamic Models for CO2 and Mixtures: Recent Developments and Applications for Process Design

摘要

In an effort to accurately predict the thermodynamic and transport properties of CO2 in mixtures with other components, typically found in the carbon capture and sequestration process, both molecular simulation and equations of state, based on statistical mechanics are used. This paper provides a highlight of the use of these techniques to predict equilibrium properties such as phase equilibria and densities of multicomponent mixtures and transport properties, such as the mutual self-diffusion coefficients of H2O and CO2.