Comparative studies on mechanical properties and dehydrochlorination of chlorinated natural rubber-based composites containing carbon nanotubes and graphene through DFT and experiments. (21st October 2022)

• Record Type: Journal Article
• Authors: Geng, Haohao; Gu, Haifeng; Wang, Danyang; Li, Wenzhuo; Luo, Ruiyi
• Is Part Of: Plastics, rubber, and composites. Volume 51:Number 9(2022)
• Page Start: 463
• Page End: 471
• Publication Date: 2022-10-21
• Subjects: Chlorinated rubber -- carbon nanotube -- graphene -- density functional theory -- composites -- Young's modulus -- interfacial shear strength -- dehydrochlorination; Plastics -- Periodicals; Rubber -- Periodicals; Polymeric composites -- Periodicals; Polymer engineering -- Periodicals; 668.9
• DOI: 10.1080/14658011.2021.2008703
• Languages: English
• ISSNs: 1465-8011

Abstract

ABSTRACT: This study employed a combination of density functional theory (DFT) and experimentation to compare the mechanical properties of chlorinated natural rubber (CNR)/carbon nanotubes (CNT) and CNR/graphene composites and to illuminate their thermal stability differences related to dehydrochlorination. The results showed that, in tensile tests, the Young's modulus of CNR/graphene was greater than that of CNR/CNT, while in pull-out simulation tests, the interfacial shear strength of CNR/graphene was smaller than that of CNR/CNT. In thermal stability tests, both CNT and graphene made the CNR dehydrochlorination reaction rate constant larger, with the thermal stability of CNR/graphene better than that of CNR/CNT. The performance change trends of the two composites were calculated using DFT and the experimental results were consistent with these trends.