CMC/SWCNT biocomposites: A combined study on experiments, molecular simulations and continuum models

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dc.contributor.authorMergen, Omer Bahadir
dc.contributor.authorGul, Ufuk
dc.contributor.authorKacar, Gokhan
dc.contributor.authorArda, Ertan
dc.contributor.authorAydogdu, Metin
dc.date.accessioned2024-06-12T10:54:36Z
dc.date.available2024-06-12T10:54:36Z
dc.date.issued2024
dc.departmentTrakya Üniversitesien_US
dc.description.abstractA comprehensive study is carried out including experimental, molecular dynamics (MD) simulations and continuum modelling of Carboxymethyl cellulose/Single walled carbon nanotube (CMC/SWCNT) biocomposites. The electrical, optical, and mechanical properties of CMC/SWCNT biocomposites were investigated in the experimental part of this work. In the result of measurements, it was determined that electrical conductivity (, d c ), absorbance level ( A ) and tensile modulus ( E ) of the composites increased significantly with the increase of SWCNT content in the CMC matrix. These physical changes in the CMC/SWCNT composites were explained by the percolation theory and the electrical and optical percolation thresholds ( R , and R op ) and the critical exponents ( fl , and fl op ) of these composites were calculated. In addition, MD simulations were performed to estimate the material properties for the polymer composite structures. The results of the tensile test experiments were found to qualitatively overlap with the experiments at low concentration range. Moreover, a homogenous distribution of SWCNTs were observed in the CMC matrix together with a strong level of interactions in between. In the continuum modelling a two parameters augmentation model is used. A coupled Mori -Tanaka -self consistent method is utilized when obtaining effective properties of composites. Experimental, MD and continuum modelling results of composites were compared and reasonable agreement was obtained between results.en_US
dc.description.sponsorshipDepartment of Scientific Research Projects at Trakya University (TUBAP) [2021/91]en_US
dc.description.sponsorshipAcknowledgements This work was supported by the Department of Scientific Research Projects at Trakya University (TUBAP) [2021/91] .en_US
dc.identifier.doi10.1016/j.mtcomm.2024.108819
dc.identifier.issn2352-4928
dc.identifier.scopus2-s2.0-85189759906en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.urihttps://doi.org/10.1016/j.mtcomm.2024.108819
dc.identifier.urihttps://hdl.handle.net/20.500.14551/19101
dc.identifier.volume39en_US
dc.identifier.wosWOS:001225108400001en_US
dc.identifier.wosqualityN/Aen_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofMaterials Today Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectBiocompositeen_US
dc.subjectPhysical Propertiesen_US
dc.subjectContinuum Modelen_US
dc.subjectMolecular Dynamics Simulationsen_US
dc.subjectWalled Carbon Nanotubesen_US
dc.subjectReduced Graphene Oxideen_US
dc.subjectCarboxymethyl Celluloseen_US
dc.subjectMechanical-Propertiesen_US
dc.subjectDynamics Simulationsen_US
dc.subjectNanocompositesen_US
dc.subjectCompositesen_US
dc.subjectConductivityen_US
dc.subjectEnhancementen_US
dc.subjectBehaviorsen_US
dc.titleCMC/SWCNT biocomposites: A combined study on experiments, molecular simulations and continuum modelsen_US
dc.typeArticleen_US

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