Hong Tianjiao, Kang Yan, Tian Pengfei, Xuan Fuzhen
Key Laboratory of Pressure Systems and Safety, Ministry of Education, School of Mechanical and Power Engineering, East China University of Science and Technology Shanghai 200237 China
School of Chemistry and Molecular Engineering, East China University of Science and Technology Shanghai 200237 China.
RSC Adv. 2025 Jun 27;15(27):22023-22034. doi: 10.1039/d5ra02295a. eCollection 2025 Jun 23.
The mechanical properties of polyurethane elastomers are primarily determined by their formulations and synthetic processes. Here, we present an in-depth investigation into the optimization of the mechanical performance of a toluene diisocyanate (TDI)-based polyurethane using orthogonal design and response surface methodology (RSM). The utmost mechanical performance with a tensile strength of 14.67 MPa and an elongation at break of 1160% was achieved. The model reliability in predicting the mechanical strength was validated with a reasonable accuracy error of 2.2%. The correlation between mechanical properties of the TDI-based polyurethane and factors including NCO/OH ratio (-value), chain extension coefficient, crosslinking coefficient, and curing temperature was elucidated through a combination of Fourier transform infrared (FTIR) and Raman spectroscopy with RSM. A net positive interactive effect among the -value, chain extension coefficient, and curing temperature was observed. Additionally, a volcano-shaped relationship was identified between tensile strength and the crosslinking coefficient, while a similar non-monotonic trend was found between elongation at break and curing temperature. Through multiple characterization experiments including equilibrium swelling measurements, differential scanning calorimetry (DSC) and scanning electron microscopy (SEM), the relationship between elastomer crosslink density and mechanical properties was systematically examined. This work provides valuable insights for the rational design of high-performance polymer materials.
聚氨酯弹性体的力学性能主要由其配方和合成工艺决定。在此，我们采用正交设计和响应面方法（RSM）对基于甲苯二异氰酸酯（TDI）的聚氨酯的力学性能优化进行了深入研究。实现了最大力学性能，拉伸强度为14.67 MPa，断裂伸长率为1160%。以2.2%的合理精度误差验证了预测力学强度的模型可靠性。通过傅里叶变换红外光谱（FTIR）和拉曼光谱与RSM相结合，阐明了基于TDI的聚氨酯的力学性能与包括NCO/OH比（-值）、扩链系数、交联系数和固化温度等因素之间的相关性。观察到-值、扩链系数和固化温度之间存在净正交互作用。此外，在拉伸强度和交联系数之间发现了火山形状的关系，而在断裂伸长率和固化温度之间发现了类似的非单调趋势。通过包括平衡溶胀测量、差示扫描量热法（DSC）和扫描电子显微镜（SEM）在内的多种表征实验，系统地研究了弹性体交联密度与力学性能之间的关系。这项工作为高性能聚合物材料的合理设计提供了有价值的见解。
