Vapor-liquid equilibrium and thermodynamic property estimation of CO2 - alkanolamines - water system using molecular modeling and validation with experiments

Abstract

The study of phase equilibrium thermodynamics of (CO2 + alkanolamine + H2O) system is of immense significance in the context of energy efficient capture of CO2, the most alarming green- house gas in the atmosphere. Among the various methodologies available so far absorption in alkanolamine solvent is currently in use. However,alkanolamines as solvent have certain drawbacks such as solvent loss due to volatility and high regeneration costs due to the high water content, which has driven researchers for new and alternative technologies. Recently room temperature ionic liquids (ILs’); called green solvents are emerging as promising candidates to capture CO2 due to their wide liquid range, low melting point, tunable properties, negligible vapor pressure, high CO2 solubility and reasonable thermal stability. But it is difficult to realize practically owing to its high viscous and high cost, which left us so far with the alkanolamine-CO2 technology. There is a rejuvenation of interest for newer alkanolamine formulation. In view of this, present thesis aimed towards the generation of new vapor-liquid equilibrium data on(EAE+ CO2+ H2O)system along with the generation of density data on aqueous (EAE + ATM)and (EAE + MDEA)blends. The physicochemical data are considered to be a very important contribution towards the design database of gas treating process.