Goli Elyas, Robertson Ian D, Geubelle Philippe H, Moore Jeffrey S
Department of Civil and Environmental Engineering , University of Illinois , Urbana , Illinois 61801 , United States.
Beckman Institute for Advanced Science and Technology , University of Illinois , Urbana , Illinois 61801 , United States.
J Phys Chem B. 2018 Apr 26;122(16):4583-4591. doi: 10.1021/acs.jpcb.7b12316. Epub 2018 Apr 17.
As frontal polymerization is being considered as a faster and more energy efficient manufacturing technique for polymer-matrix fiber-reinforced composites, we perform a finite-element-based numerical study of the initiation and propagation of a polymerization front in dicyclopentadiene (DCPD). The transient thermochemical simulations are complemented by an analytical study of the steady-state propagation of the polymerization front, allowing to draw a direct link between the cure kinetics model and the key characteristics of the front, i.e., front velocity and characteristic length scales. The second part of this study focuses on the prediction of the temperature spike associated with the merger of two polymerization fronts. The thermal peak, which might be detrimental to the properties of the polymerized material, is due to the inability of the heat associated with the highly exothermic reaction to be dissipated when the two fronts merge. The analysis investigates how the amplitude of the thermal spike is affected by the degree of cure at the time of the front merger.
由于前沿聚合被视为一种用于聚合物基纤维增强复合材料的更快且更节能的制造技术，我们对双环戊二烯（DCPD）中聚合前沿的引发和传播进行了基于有限元的数值研究。瞬态热化学模拟辅以对聚合前沿稳态传播的分析研究，从而能够在固化动力学模型与前沿的关键特性（即前沿速度和特征长度尺度）之间建立直接联系。本研究的第二部分重点在于预测与两个聚合前沿合并相关的温度峰值。该热峰可能对聚合材料的性能有害，这是因为当两个前沿合并时，与高度放热反应相关的热量无法消散。分析研究了前沿合并时固化程度如何影响热峰的幅度。
