Experimental data, thermodynamic and neural network modeling of CO2 solubility in aqueous sodium salt of L-phenylalanine

In this study, experimental CO2 solubility in aqueous sodium salt of L-phenylalanine (Na-Phe) was investigated at concentrations (w=0.10, 0.20, and 0.25) mass fractions. The solubility was measured in a high-pressure solubility cell at temperatures 303.15, 313.15 and 333.15 K, over a CO2 pressure range of (225) bar. The effect of temperature, equilibrium CO2 pressure and Na-Phe concentration on CO2 loading were examined. Two different models namely modified Kent-Eisenberg and artificial neural network (ANN) were used to correlate the CO2 solubility data. Carbamate hydrolysis and amine deprotonation equilibrium constants were estimated as a function of temperature, pressure and solvent concentration from modified Kent-Eisenberg model. Also, the comparison of prediction results obtained from both modeling techniques was carried out. It was found that ANN model performed better than modified Kent-Eisenberg model. (C) 2017 Elsevier Ltd. All rights reserved.