Thermodynamic modelling of unloaded and loaded N,N-diethylethanolamine solutions

In this work, a thermodynamic model based on the electrolyte non-random two-liquid theory (eNRTL) was created and fitted to correlate and predict the partial and total pressures of the unloaded and loaded aqueous DEEA solutions. New interaction parameters were obtained for the binary and tertiary system. This model represents the vapour pressures of the pure components, DEEA and H2O, with AARD of 1.9% and 1.73% respectively. Furthermore, the fitted model predicts the total pressure above the binary system, H2O-DEEA, with AARD of 0.05%. The excess of enthalpy and densities are predicted with AARD of 5.63% and 1.38% respectively. The tertiary system, H2O-DEEA-CO2, is fitted for 2 M and 5 M DEEA solutions with loading between 0.042 and 0.9 mol CO2/mol amine up to 80 °C. Results of CO2 partial pressures and total pressures are reproduced, with AARD of 19.45% and 16.18% respectively. Densities are predicted with an AARD of 1.52%.