Details

Autor(en) / Beteiligte

• Fernández, Luís
• Ortega, Juan
• Wisniak, Jaime

Titel

Assessment of liquid–liquid equilibrium data by solving the Gibbs‐Duhem equation

Ist Teil von

• AIChE journal, 2022-05, Vol.68 (5), p.n/a

Ort / Verlag

Hoboken, USA: John Wiley & Sons, Inc

Erscheinungsjahr

2022

Quelle

Wiley-Blackwell Journals

Beschreibungen/Notizen

• A methodology, based on the Gibbs‐Duhem equation, is developed to study the thermodynamic consistency of liquid–liquid equilibrium (LLE) data. The method proposes evaluating the experimental data in two ways: (a) integral‐form, verifying dependences among variables in the same phase, both for temperatures: T̂j=κTεT,j0−Tj,exp−Tj,cal, and compositions: x̂1,jJ=κxεx1J,j0−x1,j,expJ−x1,j,calJ, and (b) differential‐form, which validates relationships between the compositions of each phase by ζ̂j=κζεζ,j0−ζj,exp−ζj,cal. A coverage factor κ is introduced in both approaches to define the degree of confidence of the evaluation using a database (T, x1I,x1II) of 50 binary systems to define the limits of inconsistency. With κ = 3, more than 60% of the set is accepted (κ > 3 falls to 38%) providing a guarantee of quality for LLE data. The results show that the consistency test can detect errors in the set {data + model} under study, although the absence of a reference state for the LLE gives the model a limited sensitivity to systematic errors.