期刊
ACS OMEGA
卷 7, 期 33, 页码 28820-28830出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsomega.2c01755
关键词
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资金
- Friedrich and Elisabeth Boysen Foundation [BOY-105]
- Max Planck Society
This article introduces a new method for modeling the microstructure of carbon black and calculating the electrical conductivity of polymer composites. It demonstrates the ability to predict the required carbon black content and minimize the amount of additive to achieve a specific conductivity.
Carbon black is the most frequently applied conductive additive in rubber and polymer composites. In this work, we show how a carbon black microstructure in a polymer matrix can be conclusively modeled based on carbon black aggregation as well as an agglomeration mechanism using a state-of-the-art mathematical model. This novel and flexible microstructural modeling method enables us to virtually investigate the morphology of conductive additives within a polymer matrix and can be adapted to many conductive polymer combinations used for different applications. Furthermore, we calculate the electrical conductivity of the composite using a finite volume-based as well as a discrete element-based simulation technique and validate the results with experimental data. Utilizing a novel discrete element method (DEM) modeling technique, we were able to improve calculation times by a factor of 12.2 compared to finite volume method (FVM) simulations while maintaining high accuracy. Using this approach, we are able to predict the required carbon black content and minimize the amount of additive to create a polymer composite with a designated target conductivity.
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