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Estimation of the reaction kinetic parameters of a mimosa tannin-based thermoset resin with a simulation approach
Industrial Crops and Products ( IF 5.6 ) Pub Date : 2021-01-07 , DOI: 10.1016/j.indcrop.2020.113228
V. Nicolas , Z. Marie , A. Mija , A. Celzard , V. Fierro

This study presents the estimation of the parameters of the polymerization kinetics of a mimosa tannin-based thermosetting resin. A dual approach, experimental and numerical, was used. The numerical approach consisted in solving a time-dependent 0D numerical model of the polymerization kinetics and the heat equation. Thus, the parameters were estimated by minimizing the difference between the measured and the simulation values for four different polymerization kinetics. During the mixing phase, the temperature was recorded in order to observe the impact of the mixer and the introduction of the polymerization catalyst on the temperature. The modelling showed that the reaction starts directly with the introduction of the catalyst and that this data should not be neglected in order to achieve the minimization. A numerical study on the effect of the simulation time showed a very limited impact on the estimation of the parameters. A simulation time of 350 s was chosen in order to better take into account heat losses. The four polymerization kinetics were consistent with the experimental data and the fit improved from kinetics #1 to kinetics #4 as the number of fitting parameters increased, but the results were of the same order of magnitude. In conclusion, this work presents a simple method from an experimental point of view but very effective for estimating the reaction kinetic parameters of a thermosetting resin based on mimosa tannin. The method can probably be adapted to other polymer systems.



中文翻译:

用模拟方法估算含羞草单宁基热固性树脂的反应动力学参数

这项研究提出了含羞草单宁基热固性树脂的聚合动力学参数的估计。使用了实验和数值双重方法。数值方法包括求解聚合动力学和热方程的时间相关的0D数值模型。因此,通过最小化四种不同聚合动力学的测量值和模拟值之间的差异来估算参数。在混合阶段期间,记录温度以观察混合器的影响以及聚合催化剂的引入对温度的影响。该模型表明,反应直接从引入催化剂开始,并且不应忽略该数据以实现最小化。对模拟时间影响的数值研究表明,对参数估计的影响非常有限。为了更好地考虑热量损失,选择了350 s的仿真时间。四种聚合动力学与实验数据一致,并且随着拟合参数数量的增加,拟合从动力学#1改善到动力学#4,但是结果具有相同的数量级。总之,这项工作从实验的角度提出了一种简单的方法,但是对于估算基于含羞草单宁的热固性树脂的反应动力学参数非常有效。该方法可能适用于其他聚合物系统。为了更好地考虑热量损失,选择了350 s的仿真时间。四种聚合动力学与实验数据一致,并且随着拟合参数数量的增加,拟合从动力学#1改善到动力学#4,但结果却处于相同数量级。总之,这项工作从实验的角度提出了一种简单的方法,但是对于估算基于含羞草单宁的热固性树脂的反应动力学参数非常有效。该方法可能适用于其他聚合物系统。为了更好地考虑热量损失,选择了350 s的仿真时间。四种聚合动力学与实验数据一致,并且随着拟合参数数量的增加,拟合从动力学#1改善到动力学#4,但结果却处于相同数量级。总之,这项工作从实验的角度提出了一种简单的方法,但是对于估算基于含羞草单宁的热固性树脂的反应动力学参数非常有效。该方法可能适用于其他聚合物系统。这项工作从实验的角度提出了一种简单的方法,但是对于估计基于含​​羞草单宁的热固性树脂的反应动力学参数非常有效。该方法可能适用于其他聚合物系统。这项工作从实验的角度提出了一种简单的方法,但是对于估计基于含​​羞草单宁的热固性树脂的反应动力学参数非常有效。该方法可能适用于其他聚合物系统。

更新日期:2021-01-07
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