Mechanism Study on the Effect of Retarder on Polyurethane Setting Time Based on Molecular Simulation

Abstract

This study identified castor oil and phosphate ester as effective retarders through setting time, tensile, and flexural tests, and determined their optimal dosages. The mechanism by which phosphate ester affects the setting time of polyurethane was further investigated using molecular dynamics simulations. Fourier transform infrared spectroscopy was also employed to systematically study the physical and chemical interactions between phosphate esters and polyurethane materials. The results demonstrate that a 1% concentration of phosphate ester provides the most effective retarding effect with minimal impact on the strength of polyurethane. When phosphate ester is added to the B component of the two-component polyurethane system, its interaction energy with component A decreases, as do the diffusion coefficient and aggregation degree of component B on the surface of component A. This reduction in interaction slows the setting time. Additionally, the addition of phosphate ester to polyurethane leads to the disappearance or weakening of functional groups, indicating competitive interactions within the phosphate ester components that inhibit the reaction rate.

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Wuhan University of Technology and Springer-Verlag GmbH Germany, Part of Springer Nature