Thermodynamic Modeling of Pure, Binary, and Ternary Mixtures of Alkanolamines Using Three Versions of SAFT Equations of State

Abstract

Accurate thermodynamic modeling of pure alkanolamines and their mixtures plays a key role in the design and development of various industrial processes. Due to the effectiveness of SAFT-type equations of state (EOSs) in the thermodynamic modeling, in this study, we applied the PρT-SAFT-HR, PC-SAFT, and SAFT-HR EOSs to model the four most widely used alkanolamines, including monoethanolamine (MEA), diethanolamine (DEA), methyldiethanolamine (MDEA), and 2-amino-2-methyl-1-propanol (AMP). First, the pure-compound parameters for the PρT-SAFT-HR EOS were obtained using PρT data over a wide range of temperature and pressure. The thermodynamic properties of pure alkanolamines, including density, isobaric heat capacity, sound velocity, isobaric thermal expansivity, isothermal compressibility, saturated vapor pressure, saturated liquid density, and critical point, were calculated using PρT-SAFT-HR, PC-SAFT, and SAFT-HR EOSs and compared with experimental data. The PρT-SAFT-HR EOS demonstrated superior performance in predicting these thermodynamic properties. The calculations were then extended to mixtures, where the thermodynamic properties of eight binary and five ternary alkanolamine mixtures were modeled by using EOSs. Comparing the results of the studied EOSs in predicting the thermodynamic properties of binary and ternary mixtures also revealed the superior performance of the PρT-SAFT-HR EOS.