Abstract
This article provides an analysis on published models used to calculate phase separation in aqueous two-phase
systems (ATPS) based on Flory-Huggins (FH) theory, in terms of problem formulation and mathematical solving
algorithm. An integrated algorithm is presented, showing different mathematical approaches of using the FH
theory. The algorithm involves the estimation of interchange energy, and the calculation of phase compositions.
Based on experimental data, the thermodynamic model can provide a useful framework to perform a sensitivity
analysis on parameters, in order to understand the influence of salt type, polymer molecular mass, and ionic
strength on phase separation. However, this model, restricted to entropic and enthalpic terms, cannot quantitatively
describe the data. This occurs mainly because of the strong influence of random experimental errors on
the estimation of interchange energy and FH not being an exact description of phase separation in salt based
ATPS. After providing a literature overview and mathematical analysis, we bring to the field the application of
the FH theory for selecting ATPS and its limitations.
systems (ATPS) based on Flory-Huggins (FH) theory, in terms of problem formulation and mathematical solving
algorithm. An integrated algorithm is presented, showing different mathematical approaches of using the FH
theory. The algorithm involves the estimation of interchange energy, and the calculation of phase compositions.
Based on experimental data, the thermodynamic model can provide a useful framework to perform a sensitivity
analysis on parameters, in order to understand the influence of salt type, polymer molecular mass, and ionic
strength on phase separation. However, this model, restricted to entropic and enthalpic terms, cannot quantitatively
describe the data. This occurs mainly because of the strong influence of random experimental errors on
the estimation of interchange energy and FH not being an exact description of phase separation in salt based
ATPS. After providing a literature overview and mathematical analysis, we bring to the field the application of
the FH theory for selecting ATPS and its limitations.
| Original language | English |
|---|---|
| Article number | 117636 |
| Journal | Separation and Purification Technology |
| Volume | 255 |
| DOIs | |
| Publication status | Published - 2020 |
Keywords
- Aqueous two-phase systems
- Flory-Huggins interaction parameter
- Flory-Huggins theory
- Interchange energy estimation
- Sensitivity analysis
- Thermodynamic modelling