Universität zu Köln

Wenning, Christian, Barbe, Stephan, Achten, Dirk, Schmidt, Annette M. and Leimenstoll, Marc C. (2018). Prediction of Initial Miscibility for Ternary Polyurethane Reaction Mixtures on Basis of Solubility Parameters and Flory-Huggins Theory. Macromol. Chem. Phys., 219 (5). WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3935

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Abstract

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.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Wenning, Christian UNSPECIFIED UNSPECIFIED UNSPECIFIED Barbe, Stephan UNSPECIFIED UNSPECIFIED UNSPECIFIED Achten, Dirk UNSPECIFIED UNSPECIFIED UNSPECIFIED Schmidt, Annette M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Leimenstoll, Marc C. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-194687
DOI:	10.1002/macp.201700544
Journal or Publication Title:	Macromol. Chem. Phys.
Volume:	219
Number:	5
Date:	2018
Publisher:	WILEY-V C H VERLAG GMBH
Place of Publication:	WEINHEIM
ISSN:	1521-3935
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language PROPYLENE-OXIDE OLIGOMERS; SEGMENTED POLYURETHANES; PHASE-SEPARATION; URETHANE/UREA POLYMER; ETHYLENE-OXIDE; SOFT SEGMENTS; THERMODYNAMICS; MORPHOLOGY; INCOMPATIBILITY; COMPATIBILITY Multiple languages Polymer Science Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/19468