A critical assessment of the Flory-Huggins (FH) theory to predict aqueous two-phase behaviour

Bussamra, Bianca Consorti; Sietaram, Devi; Verheijen, P.J.T.; Mussatto, Solange I.; Costa, Aline Carvalho da; Wielen, Luuk A. M. van der; Ottens, Marcel

doi:10.1016/j.seppur.2020.117636

Cited by 7 publications

(3 citation statements)

References 25 publications

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“…Higher density and slower mobility of ethanol was observed on the surface of TPG. The thermodynamics of solvent adsorption on COFs can be explain using the Flory–Huggins theory for two-phase systems [ 50 , 51 ]. This should be one of the focus of further studies of these systems.…”

Section: Resultsmentioning

confidence: 99%

Elucidating the Aromatic Properties of Covalent Organic Frameworks Surface for Enhanced Polar Solvent Adsorption

et al. 2021

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Covalent organic frameworks (COFs) have a distinguished surface as they are mostly made by boron, carbon, nitrogen and oxygen. Many applications of COFs rely on polarity, size, charge, stability and hydrophobicity/hydrophilicity of their surface. In this study, two frequently used COFs sheets, COF-1 and covalent triazine-based frameworks (CTF-1), are studied. In addition, a theoretical porous graphene (TPG) was included for comparison purposes. The three solid sheets were investigated for aromaticity and stability using quantum mechanics calculations and their ability for water and ethanol adsorption using molecular dynamics simulations. COF-1 demonstrated the poorest aromatic character due to the highest energy delocalization interaction between B–O bonding orbital of sigma type and unfilled valence-shell nonbonding of boron. CTF-1 was identified as the least kinetically stable and the most chemically reactive. Both COF-1 and CTF-1 showed good surface properties for selective adsorption of water via hydrogen bonding and electrostatic interactions. Among the three sheets, TPG’s surface was mostly affected by aromatic currents and localized π electrons on the phenyl rings which in turn made it the best platform for selective adsorption of ethanol via van der Waals interactions. These results can serve as guidelines for future studies on solvent adsorption for COFs materials.

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Section: Resultsmentioning

confidence: 99%

Elucidating the Aromatic Properties of Covalent Organic Frameworks Surface for Enhanced Polar Solvent Adsorption

et al. 2021

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“…Flory–Huggins theory has been applied to predict the formation of ATPSs; however, the prediction is not effective on salt based ATPSs and strongly influenced by the uncertainty of data. 235…”

Section: Discussionmentioning

confidence: 99%

“…Flory-Huggins theory has been applied to predict the formation of ATPSs; however, the prediction is not effective on salt based ATPSs and strongly influenced by the uncertainty of data. 235 One of the challenges preventing the widespread distribution of SMR in biological laboratories is the complexity of fabrication and experimental procedure as well as a relatively low throughput. The development of multiprobe measurements 236 containing arrays of cantilever with an effective sensor system (for example a piezoresistive sensor) 181 and an analytic software for acquiring and interpreting results could be the key for a combination of a high throughput and high resolution.…”

Section: Challengesmentioning

confidence: 99%

Advanced density-based methods for the characterization of materials, binding events, and kinetics

Doan-Nguyen

Crespy

2022

Chem. Soc. Rev.

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Hydrogel materials for sustainable water resources harvesting & treatment: Synthesis, mechanism and applications

Zhang

et al. 2022

Chemical Engineering Journal

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A critical assessment of the Flory-Huggins (FH) theory to predict aqueous two-phase behaviour

Cited by 7 publications

References 25 publications

Elucidating the Aromatic Properties of Covalent Organic Frameworks Surface for Enhanced Polar Solvent Adsorption

Elucidating the Aromatic Properties of Covalent Organic Frameworks Surface for Enhanced Polar Solvent Adsorption

Advanced density-based methods for the characterization of materials, binding events, and kinetics

Hydrogel materials for sustainable water resources harvesting & treatment: Synthesis, mechanism and applications

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