CO2 solubility measurement and thermodynamic modeling for 1-methylpiperazine/water/CO2

• Published in: Fluid phase equilibria 2015-05, Vol.394, p.118-128
• Main Authors: Li, Han, Le Moullec, Yann, Lu, Jiahui, Chen, Jian, Valle Marcos, Jose Carlos, Chen, Guofei, Chopin, Fabrice
• Format: Article
• Language: English
• Subjects: 1-Methylpiperazine; Amines; Carbon dioxide; CO2 solubility; Computer simulation; Enthalpy; Excess enthalpy; Interaction parameters; Mathematical models; Solubility; Thermodynamic model; Thermodynamic models
• ISSN: 0378-3812; 1879-0224
• DOI: 10.1016/j.fluid.2015.03.021

An accurate thermodynamic model is the primary element needed for the process simulation and optimization for CO2 absorption in aqueous amine solutions. In this work, the thermodynamic model was built in Aspen Plus, using the electrolyte nonrandom two-liquid (ENRTL) activity coefficient model to represent vapor pressure and heat capacity data, simultaneously, for amine, vapor–liquid equilibrium (VLE), excess enthalpy (HE), and pKa data for amine/H2O, and CO2 solubility data for amine/CO2/H2O. The cyclic diamine 1-methylpiperazine (1MPZ) is a promising amine for CO2 capture. CO2 solubility was measured for 1MPZ aqueous solutions at three concentrations – 10wt%, 30wt%, and 40wt% and four temperatures – 313.15K, 343.15K, 373.15K, and 393.15K. The excess enthalpy for 1MPZ+H2O was obtained by the Setaram C80 calorimeter at 303.15K and 323.15K, within a whole mole-fraction range. The interaction parameters of nonrandom two-liquid model (NRTL) and ENRTL, along with the standard state properties of amine ions – protonated 1MPZ (1MPZH+, 1MPZH2+), 1MPZ carbamate (1MPZCOO−), and protonated 1MPZ carbamate (H1MPZCOO) – were regressed from data obtained from this work as well as literature, which agreed with the model calculation.