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SCIENTIFIC HIGHLIGHTS 2022

Prediction of pH in multiphase systems with ePC-SAFT advanced

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  • Research Highlights
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The potential of a physical sound thermodynamic model

The pH value expresses the proton activity, which is the crucial factor determining the species distribution in solution
of weak electrolytes. Knowledge of the pH is mandatory, for instance, to assess enzyme activity in an Aqueous Two-
Phase System (ATPS) or to estimate the CO2 solubility in geological reservoirs. This work addresses the prediction of pH
in multicomponent multiphase systems by solving the coupled reaction and phase equilibria, using the thermodynamic
equation of state ePC-SAFT advanced to describe the nonideality in each phase. The predicted pH values were in excellent
agreement with experimental data, using model parameters that were fitted exclusively to phase equilibrium properties.