Demixing behavior of binary polymer mixtures

Chicaroux, Andres Kulaguin; Górak, Andrzej; Zeiner, Tim

doi:10.1016/j.molliq.2015.05.012

Cited by 17 publications

(16 citation statements)

References 42 publications

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“…The molar Gibbs energy g can be calculated using the Koningsveld‐Kleintjes model , :

true \begin{matrix} right1 & left g = normalΔ g_{normalid normal, normalchain} + g^{normalE} = \\ right1 & left RT (\frac{φ_{1}}{r_{1}} \ln φ_{1} + \frac{(1 - φ_{1})}{r_{2}} \ln (1 - φ_{1})) + g^{normalE} \end{matrix}

…”

Section: Theoretical Frameworkmentioning

confidence: 99%

“…Hereby, r 1 = 1 and r 2 = M 2 / M 1 denote the segment ratio of the considered molecules regarding the molar mass of molecule 1 as standard and the excess Gibbs energy is calculated by the KK model as follows , :

true \frac{g^{normalE}}{RT} = \frac{φ_{1} (1 - φ_{1}) A}{1 - p φ_{1}}

…”

Section: Theoretical Frameworkmentioning

confidence: 99%

“…Previous work showed a successful modeling of the mass transport across the interface. The calculations were validated with experimental data , . As thermodynamic model, the Koningsveldt‐Kleintjens (KK) approach , served for reproduction of the liquid‐liquid equilibrium and the influence parameter of the DGT was adjusted to one interfacial tension of the system , .…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Fluid Simulation‐Supported Extraction Process Design: An Approach Towards Improving Current Models

Zimmermann

Zeiner

2020

Chemie Ingenieur Technik

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In recent years, computational fluid dynamics (CFD) has become a valuable tool for the design of extraction processes. CFD simulations have been combined with population balances to account for coalescence and breakage. In this work, another approach to account for drop interactions is shown, namely, the incompressible Cahn-Hilliard/Navier-Stokes equations. To apply the Cahn-Hilliard equations, they have to be combined with a thermodynamic model. Here, a Koningsveld-Kleintjens approach is used to account for the mixing gap of the binary mixture. The suggested method was applied to analyze drops in a shear field and to investigate drop coalescence.

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“…The molar Gibbs energy g can be calculated using the Koningsveld‐Kleintjes model , :

true \begin{matrix} right1 & left g = normalΔ g_{normalid normal, normalchain} + g^{normalE} = \\ right1 & left RT (\frac{φ_{1}}{r_{1}} \ln φ_{1} + \frac{(1 - φ_{1})}{r_{2}} \ln (1 - φ_{1})) + g^{normalE} \end{matrix}

…”

Section: Theoretical Frameworkmentioning

confidence: 99%

true \frac{g^{normalE}}{RT} = \frac{φ_{1} (1 - φ_{1}) A}{1 - p φ_{1}}

…”

Section: Theoretical Frameworkmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Fluid Simulation‐Supported Extraction Process Design: An Approach Towards Improving Current Models

Zimmermann

Zeiner

2020

Chemie Ingenieur Technik

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“…Such a theoretical framework, which permits the calculation of the interfacial tension related to the LLE was established twenty years ago [7]. The basic idea of this approach is the applica-tion of the density gradient theory, originally developed by Van der Waals [8] and rediscovered by Cahn-Hilliard [9], to incompressible fluids, where the Helmholtz energy can be replaced by the Gibbs energy and consequently the thermodynamic properties can be modelled with a g E model rather than an equation of state [10,11] The method was used for different binary [12][13][14][15][16][17][18][19][20][21], ternary [14,21,[22][23][24][25][26] and quaternary mixtures [21,[27][28][29]. Recently, also the time-dependency of the interfacial tension caused by diffusion [14,16,24,27] or caused by a chemical reactions [21,29] were studied.…”

Section: Introductionmentioning

confidence: 99%

Liquid‐Liquid Equilibrium and Interfacial Properties of the System Water + Hexylacetate + 1‐Hexanol

Danzer

Enders

2019

Chemie Ingenieur Technik

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Experimental and theoretical investigations of the phase diagram and the interfacial tension are presented. The theoretical framework was able to predict the phase behavior and the interfacial tension with a high accuracy, where only binary experimental data enter the model parameter. The theory permits the calculation of the concentration profiles across the interface. The profiles show that 1‐hexanol will be enriched, which was expected. In same circumstances a competition between hexylacetate and 1‐hexanol was figured out leading to slight minima in the profile of 1‐hexanol.

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“…Poser and Sanchez [33] have extended the Density Gradient Theory to binary systems to predict interfacial properties of vapor-liquid equilibria. In recent years several works have been published using an EOS in combination with Density Gradient Theory [34,35,36,37,38,39,40,41,42,43] or an g E -model [18,44,45,46,47] to calculate the interfacial properties of vapour-liquid or liquid-liquid phase equilibria (LLE).…”

Section: Introductionmentioning

confidence: 99%

Investigation of interfacial properties of aqueous two-phase systems by density gradient theory

Chicaroux

Zeiner

2016

Fluid Phase Equilibria

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Demixing behavior of binary polymer mixtures

Cited by 17 publications

References 42 publications

Fluid Simulation‐Supported Extraction Process Design: An Approach Towards Improving Current Models

Fluid Simulation‐Supported Extraction Process Design: An Approach Towards Improving Current Models

Liquid‐Liquid Equilibrium and Interfacial Properties of the System Water + Hexylacetate + 1‐Hexanol

Investigation of interfacial properties of aqueous two-phase systems by density gradient theory

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