Phase- and interfacial behavior of hyperbranched polymer solutions

Zeiner, Tim; Schrader, Philipp; Enders, Sabine; Browarzik, D.

doi:10.1016/j.fluid.2010.07.021

Cited by 54 publications

(44 citation statements)

References 38 publications

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“…In opposite to this, in the case of only one associating molecule, the association can be determined analytically. To consider the cross-association between different molecules mixing rules for the association volume and the association energy are applied to calculate the parameters for the cross-association: (90) and (91) The parameter was introduced to consider the deviation of the interaction energy from the geometrical mixing rule [58,123].…”

Section: Wertheim Association Theory For a Polymer Blendmentioning

confidence: 99%

“…For the following calculations was set to 12. Details about the fitting procedure and the used data are given in the literature [54][55][56][57][58]. the association forces in terms of self-and cross association into account leads to an improvement of the calculated results by shifting the polymer mass fraction in the concentrated phases to larger values and hence the application of the Wertheim approach improves the calculation results in the right direction.…”

Section: Binary Polymer Solutionsmentioning

confidence: 99%

“…the association forces in terms of self-and cross association into account leads to an improvement of the calculated results by shifting the polymer mass fraction in the concentrated phases to larger values and hence the application of the Wertheim approach improves the calculation results in the right direction. Including only self-association and not cross association in the theoretical calculations leads to extremely high demixing temperatures [54], where the polymer is hardly stable. The calculation results agree with experimental findings only if both effects (self-and cross association) are taken into account (Figure 8).…”

Section: Binary Polymer Solutionsmentioning

confidence: 99%

“…This is especially true for the involved phase equilibria. Recently [53][54][55][56][57][58], large strides have been made in understanding and developing theories for the thermodynamic properties of hyperbranched polymers, but an accurate prediction of the phase behaviour of these complex systems is still very much in its infancy. The question arising in calculating the phase equilibria of HBP is the consideration of branching effects.…”

Section: Introductionmentioning

confidence: 99%

“…One objection to the branching term is the fact that all branching points have four bonds, but the majority number of branching points of hyperbranched polymers has three bonds: therefore, this branching term fails to describe the architecture of hyperbranched polymers correctly. To the best of our knowledge, only the detailed incorporation of the architecture allows the modelling of the LLE close to experimental data [53][54][55][56][57][58].…”

Section: Introductionmentioning

confidence: 99%

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Phase Diagrams for Systems Containing Hyperbranched Polymers

et al. 2012

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Abstract:Hyperbranched polymers show an outstanding potential for applications ranging from chemistry over nanotechnology to pharmacy. In order to take advantage of this potential, the underlying phase behaviour must be known. From the thermodynamic point of view, the modelling of these phase diagrams is quite challenging, because the thermodynamic properties depend on the architecture of the hyperbranched polymer as well as on the number and kind of present functional end groups. The influence of architecture can be taken into account via the lattice cluster theory (LCT) as an extension of the well-known Flory-Huggins theory. Whereas the Flory-Huggins theory is limited to linear polymer chains, the LCT can be applied to an arbitrary chain architecture. The number and the kind of functional groups can be handled via the Wertheim perturbation theory, applicable for directed forces between the functional groups and the surrounding solvent molecules. The combination of the LCT and the Wertheim theory can be established for the modelling or even prediction of the liquid-liquid equilibria (LLE) of polymer solutions in a single solvent or in a solvent mixture or polymer blends, where the polymer can have an arbitrary structure. The applied theory predicts large demixing regions for mixtures of linear polymers and hyperbranched polymers, as well as for mixtures made from two hyperbranched polymers. The introduction of empty lattice sites permits the theoretical investigation of pressure effects on phase behaviour. The calculated phase diagrams were compared with own experimental data or to experimental data taken from literature. OPEN ACCESSPolymers 2012, 4 73

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Section: Wertheim Association Theory For a Polymer Blendmentioning

confidence: 99%

Section: Binary Polymer Solutionsmentioning

confidence: 99%

Section: Binary Polymer Solutionsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Phase Diagrams for Systems Containing Hyperbranched Polymers

et al. 2012

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Associating lattice cluster theory and application to modeling oleic acid + formic acid + formoxystearic acid

et al. 2018

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The associating lattice cluster theory (ALCT) is developed in this work. It is especially useful for describing mixtures of oligomers of varying architecture. As the influence of the structure is predicted, it can also be applied in cases in which pure component data are lacking. ALCT is used here for the calculation of liquid–liquid equilibria (LLE) in the system oleic acid (OA) + formic acid (FA) + formoxystearic acid that is interesting for biopolymer production. Experimental studies of LLE in that system were carried out at 296, 313, and 333 K. Ternary mixtures were prepared from the educts OA and FA using heterogeneous acidic catalysis. Quantitative NMR spectroscopy was applied for the analysis. For the educt system also the excess enthalpy was studied by isothermal titration calorimetry. The prediction of the ternary LLE by ALCT succeeds. © 2018 American Institute of Chemical Engineers AIChE J, 65: 783–791, 2019

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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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Phase- and interfacial behavior of hyperbranched polymer solutions

Cited by 54 publications

References 38 publications

Phase Diagrams for Systems Containing Hyperbranched Polymers

Phase Diagrams for Systems Containing Hyperbranched Polymers

Associating lattice cluster theory and application to modeling oleic acid + formic acid + formoxystearic acid

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

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