Journal
CHEMICAL COMMUNICATIONS
Volume 58, Issue 60, Pages 8436-8439Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d2cc02943j
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Funding
- Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) [390677874, 446436621, ANR-20-CE92-0002-01]
- Gefordert durch die Deutsche Forschungsgemeinschaft (DFG) im Rahmen der Exzellenzstrategie des Bundes und der Lander - EXC 2033 [390677874]
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This article addresses the prediction of pH values in multiphase systems based on the IUPAC definition via proton activity, using the thermodynamic equation of state to predict the required proton activity coefficients.
Proton activity, which is usually expressed as a pH value, is among the most important properties in the design of chemical and biochemical processes as it determines the dissociation of species in aqueous mixtures. This article addresses the prediction of pH values in multiphase systems based on the IUPAC definition via proton activity. The required proton activity coefficients were predicted using the thermodynamic equation of state ePC-SAFT advanced. The developed framework considers reaction equilibria and phase equilibria (vapor-liquid and liquid-liquid) to predict pH in the equilibrated liquid phases.
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