Prediction of pH in multiphase multicomponent systems with ePC-SAFT advanced

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dc.contributor.authorAscani, Moreno
dc.contributor.authorPabsch, Daniel
dc.contributor.authorKlinksiek, Marcel
dc.contributor.authorGajardo-Parra, Nicolás
dc.contributor.authorSadowski, Gabriele
dc.contributor.authorHeld, Christoph
dc.date.accessioned2023-03-27T06:18:22Z
dc.date.available2023-03-27T06:18:22Z
dc.date.issued2022-06-30
dc.description.abstractProton 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.en
dc.identifier.urihttp://hdl.handle.net/2003/41310
dc.identifier.urihttp://dx.doi.org/10.17877/DE290R-23153
dc.language.isoende
dc.relation.ispartofseriesChem. Commun.;58(60)
dc.rights.urihttps://creativecommons.org/licenses/by/3.0/
dc.subject.ddc660
dc.subject.rswkIUPAC-Regelde
dc.subject.rswkWasserstoffionenkonzentrationde
dc.subject.rswkProtonde
dc.subject.rswkAktivitätde
dc.subject.rswkFlüssig-Flüssig-Systemde
dc.titlePrediction of pH in multiphase multicomponent systems with ePC-SAFT advanceden
dc.typeTextde
dc.type.publicationtypearticlede
dcterms.accessRightsopen access
eldorado.secondarypublicationtruede
eldorado.secondarypublication.primarycitationAscani, M., Pabsch, D., Klinksiek, M., Gajardo-Parra, N., Sadowski, G., and Held, C. (2022). Prediction of pH in multiphase multicomponent systems with ePC-SAFT advanced. Chemical communications 58, 8436–8439. doi: 10.1039/d2cc02943j.de
eldorado.secondarypublication.primaryidentifierhttps://doi.org/10.1039/D2CC02943Jde

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