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

作　　者：WU Yuxuan XU Wenyuan YU Tianlai JI Yongcheng 吴宇轩;徐文远(School of Civil Engineering,Northeast Forestry University,Harbin 150040,China)

机构地区：[1]School of Civil Engineering,Northeast Forestry University,Harbin 150040,China

出　　处：《Journal of Wuhan University of Technology(Materials Science)》2025年第1期224-231,共8页武汉理工大学学报（材料科学英文版）

基　　金：Funded by the National Natural Science Foundation of China(No.52370128);the Fundamental Research Funds for the Central Universities(No.2572022AW54)。

摘　　要：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.

关 键 词：POLYURETHANE RETARDER setting time molecular dynamics diffusion coefficient 

分 类 号：TQ323.8[化学工程—合成树脂塑料工业]