Thermodynamics of Aqueous Piperazine/Potassium Carbonate/Carbon Dioxide Characterized by the Electrolyte NRTL Model within Aspen Plus. Topical Report October 1-December 2004.
The Electrolyte Nonrandom Two Liquid (NRTL) Activity Coefficient model within Aspen Plus v12.1 was used to develop a rigorous thermodynamic representation of an aqueous piperazine (PZ) and potassium carbonate (K(sub 2)CO(sub 3)) mixed solvent electrolyte system for the application of carbon dioxide (CO(sub 2)) absorption/stripping from power plant flue gas. The model predicts the speciation and carbon dioxide solubility as a function of solvent composition, temperature, and pressure. These results provide the capacity of the solvent, the heat of absorption, and the concentration of reactive species (e.g. piperazine and piperazine carbamate (PZCOO(sup -))). Binary interaction parameters for the potassium carbonate/piperazine mixed solvent electrolyte system were obtained through the regression of water vapor pressure and calorimetry over potassium carbonate and potassium bicarbonate (KHCO(sub 3)) solutions, CO(sub 2) solubility in potassium carbonate/piperazine, and proton nuclear magnetic resonance (NMR) of potassium carbonate/piperazine speciation.