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首页> 外文期刊>Journal of Applied Polymer Science >Simple kinetic numerical model based on rheometer data for ethylene-propylene-diene monomer accelerated sulfur crosslinking
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Simple kinetic numerical model based on rheometer data for ethylene-propylene-diene monomer accelerated sulfur crosslinking

机译：基于流变仪数据的乙烯-丙烯-二烯单体促进硫交联的简单动力学数值模型

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摘要

A simple numerical model for the interpretation of the reaction kinetics in ethylene-propylene-diene monomer (EPDM) vulcanized with accelerated sulfur is presented. The model is based on the assumption that during vulcanization, a number of partial reactions occurs, both in series and in parallel, which determine the formation of intermediate compounds, including activated and matured polymers. Once written a standard first-order differential equation (DIFF-EQ) for each partial reaction, an ordinary DIFF-EQ system (ODEs), was obtained and solved through Runge-Kutta algorithms. Alternatively and more efficiently, a single second-order nonhomogenous DIFF-EQ with constant coefficients was deduced, for which a closed-form solution was derived, provided that the nonhomogenous term was approximated with an exponential function. Kinetic constants were evaluated through experimental data fitting on standard rheometer tests. To assess model predictions, an experimental campaign at different temperatures on two EPDM compounds was performed. They exhibited moderate reversion at intermediate and high curing temperatures. A nonlinear least-squares fitting was performed to evaluate unknown constants entering into the DIFF-EQ model proposed. Scaled rheometer curves fit rather well, also in the presence of reversion. In addition, partial reaction kinetic constants were provided: this gave an interesting insight into the different reticulation processes occurring during vulcanization.
机译：提出了一个简单的数值模型，用于解释用加速硫硫化的乙烯-丙烯-二烯单体（EPDM）中的反应动力学。该模型基于以下假设：在硫化过程中，会发生一系列串联和并联的部分反应，这决定了中间化合物的形成，包括活化和成熟的聚合物。一旦为每个部分反应编写了标准的一阶微分方程（DIFF-EQ），即可获得普通的DIFF-EQ系统（ODE）并通过Runge-Kutta算法求解。替代地并且更有效地，推导了具有恒定系数的单个二阶非齐次DIFF-EQ，为此推导了封闭形式的解决方案，前提是该非齐次项用指数函数近似。通过在标准流变仪测试中拟合实验数据来评估动力学常数。为了评估模型预测，对两种EPDM化合物在不同温度下进行了实验。它们在中等和较高的固化温度下表现出适度的回复。进行非线性最小二乘拟合，以评估输入到建议的DIFF-EQ模型中的未知常数。标定的流变仪曲线也很合适，即使在存在反向的情况下也是如此。此外，还提供了部分反应动力学常数：这对硫化过程中发生的不同网状结构提供了有趣的见解。

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