Effect of intersegmental interactions on the morphology of segmented polyurethanes with mixed soft segments: A coarse-grained simulation study

Yıldırım, Erol; Yurtsever, Mine; Wilkes, Garth L.; Jonáš, Alexandr

doi:10.1016/j.polymer.2016.03.008

Cited by 48 publications

(43 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For instance, mixtures of different soft segment structures lead to increased tensile strengths of the resulting chain extended TPUs in comparison to single soft segment TPU analogs . This finding was recently supported and described by a coarse‐grained simulation . The results indicate that the beneficial effect relies on a better control over microphase separation due to application of soft segments with different polarities.…”

Section: Introductionmentioning

confidence: 99%

Prediction of Initial Miscibility for Ternary Polyurethane Reaction Mixtures on Basis of Solubility Parameters and Flory–Huggins Theory

Wenning

Barbe

Achten

et al. 2017

Macro Chemistry & Physics

View full text Add to dashboard Cite

The initial miscibility in bi‐soft segment polyurethane reaction mixtures is investigated on the basis of Flory–Huggins (FH) theory and solubility parameters (SPs). Different group contribution theories are applied to estimate the SPs of polyether polyol (PEP) structures and 1,6‐hexamethylene diisocyanate (HDI). The PEP structure comprising starter molecule, ethylene oxide/propylene oxide moieties, and end‐functional hydroxyl groups is considered in the calculations. Binodal curves are determined computationally for binary PEP mixtures as well as for a ternary mixture consisting of HDI and a binary mixture of partially miscible PEPs. The computed phase equilibria are found to be in good agreement to experimental cloud points and binodal compositions. The prediction of miscibility for practically relevant ternary polyurethane systems on the basis of FH theory and SPs is thus feasible. Additionally, the study demonstrates that HDI is acting as a compatibilizer for partially miscible PEPs in the initial reaction mixture.

show abstract

Section: Introductionmentioning

confidence: 99%

Prediction of Initial Miscibility for Ternary Polyurethane Reaction Mixtures on Basis of Solubility Parameters and Flory–Huggins Theory

Wenning

Barbe

Achten

et al. 2017

Macro Chemistry & Physics

View full text Add to dashboard Cite

show abstract

“…RIPS leads to unique morphologies like co‐continuous or spherical domain structures in the final material,5,6 and its effect on the properties of the final material is well documented for polyurethane systems consisting of one soft segment forming polyol 7,8. Systems with more than one soft segment forming polyol are much more common and known as bi‐soft segment or mixed soft segment PUs 7,9. In such systems, RIPS and their resulting morphologies are generally more complex but nevertheless frequently utilized to design, e.g., shape‐memory polymers10 or membranes11–14 with improved mechanical properties.…”

Section: Introductionmentioning

confidence: 99%

“…In such systems, RIPS and their resulting morphologies are generally more complex but nevertheless frequently utilized to design, e.g., shape‐memory polymers10 or membranes11–14 with improved mechanical properties. Investigations on the influence of the morphology on final properties revealed that a precise control over morphology, i.e., microphase segregation, is mandatory to produce bi‐soft segment PUs with proper design 14,13,12,9. This is achieved in particular when soft segment forming polyols with different polarity are used 9,7.…”

Section: Introductionmentioning

confidence: 99%

“…Investigations on the influence of the morphology on final properties revealed that a precise control over morphology, i.e., microphase segregation, is mandatory to produce bi‐soft segment PUs with proper design 14,13,12,9. This is achieved in particular when soft segment forming polyols with different polarity are used 9,7. Therefore, a deep understanding of the underlying thermodynamics of RIPS is essential to tailor bi‐soft segment PUs.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Evolution of Reaction‐Induced Phase Segregations in Bi‐Soft Segment Urethane Oligomers

Wenning

Schmidt

Leimenstoll

2020

Macro Chemistry & Physics

View full text Add to dashboard Cite

Oligomeric bi‐soft segment isocyanate‐terminated polyurethanes (ITPUs) are semi‐finished goods crucial for the fabrication of various polyurethane (PU) products such as foams, thermoplastics, adhesives, dispersions, and elastomers. Incompatibilities and thus phase segregation phenomena play an essential role in tailoring the properties of the final products. In this work, the evolution of reaction‐induced phase segregation (RIPS) in ITPUs is explored in terms of composition and morphology of the phase segregated products as well as competing second order kinetics of the reaction. The results suggest that mechanism and extent of the phase segregation are thermodynamically controlled following the ternary phase diagram of the reactants. A comprehensive description of the phase behavior during the reaction is provided demonstrating excellent control over the morphology of ITPUs by means of appropriate adjustment of the initial reactant composition. These results are fundamental for tailored morphology design as it is employed for instance in membrane synthesis.

show abstract

“…Yildirim and Yurtsevera [7] studied the extent of intermolecular interactions between urethane hard segments (U-U) and interactions of urethanes with the soft blocks quantitatively by calculating the needed Florye-Huggins interaction parameters. They founded that self-interactions between urethane hard segments were found to be much stronger than their interactions with the soft segments due to the strong hydrogen bonds between urethane groups.…”

Section: Introductionmentioning

confidence: 99%

Effect of the Polyols Content on the Properties of the Waterborne Polyurethane

Wang

Chu

2017

Lecture Notes in Electrical Engineering

View full text Add to dashboard Cite

The anionic waterborne polyurethane emulsion was synthesized with the chemicals such as is ophoronediisocyanate (IPDI), polycarbonatediol (PCDL-1000), polyethylene-1, 4buthylenea dipateglycol (PBA-2000), dimethylol propionic acid (DMPA) and 2-hydroxyethylacrylate (HEA). The effect of the mole ratio of (PBA/PCDL) on the mechanical properties of the waterborne polyurethane (WPU) dispersion was studied. The chemical structure of emulsion particle was determined by Fourier transform infrared spectroscopy (FT-IR). Some properties were measured such as the particle size of the emulsion, the elongation at break, tensile strength and thermal stability of the film. The results indicated that when increasing the mole ratio of (PBA/PCDL), the tensile strength and thermal stability of the film was improved, the elongation at break was the contrary, and the particle size of the emulsion was increased. The films showed improvement in the thermal stability and mechanical properties when increasing the molecular weight of the polyol due to the increase in the formation of strong interaction between the hard segment and soft segment. The vinyl group on the WPU provides a crosslink site when the polymerization between the WPU and the acrylate.

show abstract

Effect of intersegmental interactions on the morphology of segmented polyurethanes with mixed soft segments: A coarse-grained simulation study

Cited by 48 publications

References 40 publications

Prediction of Initial Miscibility for Ternary Polyurethane Reaction Mixtures on Basis of Solubility Parameters and Flory–Huggins Theory

Prediction of Initial Miscibility for Ternary Polyurethane Reaction Mixtures on Basis of Solubility Parameters and Flory–Huggins Theory

Evolution of Reaction‐Induced Phase Segregations in Bi‐Soft Segment Urethane Oligomers

Effect of the Polyols Content on the Properties of the Waterborne Polyurethane

Contact Info

Product

Resources

About