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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/24736
Title: Surface functionalization and CNT coating induced improved interfacial interactions of carbon fiber with polypropylene matrix: A molecular dynamics study
Authors: Gogoi R.
Sethi S.K.
Manik, Gaurav
Published in: Applied Surface Science
Abstract: An in-depth study of interfacial interactions between carbon fiber (CF) and polypropylene (PP) matrix was carried out through a series of pull-out simulations using molecular dynamics (MD). CF surface was functionalized by grafting separately with 2, 4, and 6 wt% of –OH, –COOH and NH2 groups to understand its impact on fiber–matrix interfacial properties. Besides CF grafting, the effect of carbon nanotube (CNT) presence on its surface, mimicking dip coating of CNTs over CF, was also studied. The addition of maleic anhydride-grafted-PP (MA-g-PP), was also investigated to assess its role in imparting interfacial interactions. Among the simulated composites, the one reinforced with 6 wt% –NH2 grafted CF displayed a significant ~126% increase in IFSS compared to the composite having pristine CF, while the other reinforced with CNT coated and 6 wt% –NH2 functionalized CF showed a ~112% increment. Composite with CNT coated CF alone exhibited IFSS ~35% higher than the composite with pristine CF. Furthermore, the Young's and shear modulus of composites improved with both grafting percentage and CNT coating. Composite reinforced with CNT coated CF and CNT coated 6 wt% –NH2 grafted CF displayed ~58 and ~112% increase in Young's modulus compared to composite strengthened with pristine CF. © 2020
Citation: Applied Surface Science, 539
URI: https://doi.org/10.1016/j.apsusc.2020.148162
http://repository.iitr.ac.in/handle/123456789/24736
Issue Date: 2021
Publisher: Elsevier B.V.
Keywords: Carbon fiber reinforced polymer
Interfacial shear strength
Molecular dynamics simulation
Polypropylene
Pull-out simulation
ISSN: 1694332
Author Scopus IDs: 56912086200
57198345541
56595314900
Author Affiliations: Gogoi, R., Department of Polymer and Process Engineering, Indian Institute of Technology Roorkee, Saharanpur Campus, Paper Mill Road, Saharanpur, UP 247001, India
Sethi, S.K., Department of Polymer and Process Engineering, Indian Institute of Technology Roorkee, Saharanpur Campus, Paper Mill Road, Saharanpur, UP 247001, India
Manik, G., Department of Polymer and Process Engineering, Indian Institute of Technology Roorkee, Saharanpur Campus, Paper Mill Road, Saharanpur, UP 247001, India
Funding Details: The first author would like to kindly acknowledge the Ministry of Human Resource and Development ( MHRD ), India, for providing financial support to carry out this research work. There is no conflict of interest among the authors. Ministry of Human Resource Development, MHRD
Corresponding Author: Manik, G.; Department of Polymer and Process Engineering, Saharanpur Campus, Paper Mill Road, India; email: gaurav.manik@pe.iitr.ac.in
Appears in Collections:Journal Publications [PE]

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