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Titration of 50 g NH4HCO3/L model solution with 0.06 M HCl and 0.13 M NaOH in Aspen Plus® v12

Dataset

Description

Example of the acid and alkali titrations of a solution of 50 g NH4HCO3/L using the electrolyte template with metric units available in Aspen Plus® v12 and the ELECNRTL property method. The component list for the system H2O-NH4HCO3-HCl-NaOH (discounting the formation of NaCl, because the HCl and the NaOH will never be used in combination and titrant agents) and the associated underlying chemistry were generated with the Electrolyte Wizard. Once the property calculations have been done correctly, the flowsheet was built in the simulation environment. The flash tank (i.e., Flash2 calculation block) was selected because this calculation block was able to easily determine vapor-liquid-solid equilibria at 20 °C and 1 bar, considering all the reaction for the system H2O-NH4HCO3-HCl-NaOH which were already calculated with the Electrolyte Wizard in the Properties environment of Aspen Plus® v12. As the process shown in Figure 9 operates in continuous mode, the 50 g NH4HCO3/L model solution of condensate was imputed with a mass flowrate of 5 kg/h and composition 5 wt.% (assuming density 1 kg/L for all the components of the aqueous solution). The composition of the acid titrant was inputted as 0.22 wt.% HCl (equivalent to 0.06 M HCl, assuming a density of 1 kg/L for all the components of the aqueous solution) or 0.5 wt.% NaOH (equivalent to 0.13 M NaOH, assuming a density of 1 kg/L for all the components of the aqueous solution) and the mass flowrate was the independent variable that was modified from 0 to 100 kg/h at steps of 1 kg/h, by means of a sensitivity analysis. The results of the sensitivity analysis were the molar flowrate of H+ and OH- in the titrate stream, and the overall mass flow rate of the titrate streams. The sensitivity analysis was unable to display the standard volumetric flowrate of the titrate stream, hence it was assumed density of 1 kg/L and these values were derived from the mass flowrate for the calculation of the pH of the titrate stream. Additionally, since the pH could be calculated based on the concentration of H+ or the concentration of OH- in the titrate stream, the average values and the standard deviations were used to prepare the titration curve plot (see excel file among the Aspen Plus® v12 files). The dose of titrant in the x (horizontal) axis was expressed in equivalents of acid, considering that both chemical compounds used as titrant agent have the same valence, and using negative values to express the addition of basic titrant.
Date made available1/11/2023
PublisherZenodo

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