Characterization of viscoelastic properties of EPDM molding compound for door grommet component using molecular dynamics and phenomenological modeling.

IF 2.4 3区 工程技术 Q3 ENGINEERING, MANUFACTURING Journal of Manufacturing Science and Engineering-transactions of The Asme Pub Date : 2023-06-28 DOI:10.1115/1.4062858
Salvador Gómez-Jiménez, T. Saucedo-Anaya, V. H. Baltazar Hernandez, Ada Rebeca Contreras-Rodriguez
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Abstract

The automotive industry is evolving by incorporating innovative tools to improve production processes. A proper manufacturing process influences the behavior of the door grommet during its lifetime. In this paper, molecular dynamics simulations are conducted to evaluate the chemical and physical crosslinking of the EPDM rubber over a range of temperatures using a COMPASS force field. Then, once the EPDM model was equilibrated and all possible crosslinks were formed, additional simulations were performed on the model to explore its mechanical behavior. Subsequently, using the superposition principle, viscosity and curing kinetics were evaluated using phenomenological models. To, validate the results of the simulations, three injection tests of the door grommet, were performed at different temperature conditions. The results indicate that the viscosity and elastic properties increase with increasing levels of crosslink density and that the critical gel point decreases with temperature. Molecular dynamics superposition results in phenomenological models are in reasonable agreement with the kinetic and viscoelastic behavior of EPDM during and after the injection process. The results presented in this paper provide novel molecular-level findings on the crosslinking mechanisms of amorphous polymers and their influence on viscoelastic behavior, which could facilitate the design of the injection process for door grommet applications
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用分子动力学和现象学建模表征三元乙丙橡胶门套件成型胶黏弹性性能。
汽车行业正在通过整合创新工具来改进生产流程。正确的制造工艺影响着门环在其使用寿命期间的性能。本文利用COMPASS力场进行了分子动力学模拟,以评估EPDM橡胶在一定温度范围内的化学和物理交联。然后,一旦EPDM模型平衡并形成所有可能的交联,则对模型进行额外的模拟以探索其力学行为。随后,利用叠加原理,利用现象学模型对粘度和固化动力学进行了评价。为了验证仿真结果,在不同温度条件下对车门密封圈进行了三次注射试验。结果表明,黏度和弹性随交联密度的增加而增加,临界凝胶点随温度的升高而降低。现象学模型的分子动力学叠加结果与EPDM注射过程中和注射后的动力学和粘弹性行为基本一致。本文的研究结果为非晶态聚合物的交联机理及其对粘弹性行为的影响提供了新的分子水平的发现,这将有助于门环应用的注射工艺设计
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来源期刊
CiteScore
6.80
自引率
20.00%
发文量
126
审稿时长
12 months
期刊介绍: Areas of interest including, but not limited to: Additive manufacturing; Advanced materials and processing; Assembly; Biomedical manufacturing; Bulk deformation processes (e.g., extrusion, forging, wire drawing, etc.); CAD/CAM/CAE; Computer-integrated manufacturing; Control and automation; Cyber-physical systems in manufacturing; Data science-enhanced manufacturing; Design for manufacturing; Electrical and electrochemical machining; Grinding and abrasive processes; Injection molding and other polymer fabrication processes; Inspection and quality control; Laser processes; Machine tool dynamics; Machining processes; Materials handling; Metrology; Micro- and nano-machining and processing; Modeling and simulation; Nontraditional manufacturing processes; Plant engineering and maintenance; Powder processing; Precision and ultra-precision machining; Process engineering; Process planning; Production systems optimization; Rapid prototyping and solid freeform fabrication; Robotics and flexible tooling; Sensing, monitoring, and diagnostics; Sheet and tube metal forming; Sustainable manufacturing; Tribology in manufacturing; Welding and joining
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