1. Vapor sensing and interface properties of reduced graphene oxide–poly(methyl methacrylate) nanocomposite
- Author
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Houshang Araghi, Abderrahmane Boujakhrout, Paul E. D. Soto Rodriguez, Reynaldo Villalonga, and Zabiholah Zabihi
- Subjects
010302 applied physics ,Thermogravimetric analysis ,Nanocomposite ,Materials science ,Graphene ,Interaction energy ,Condensed Matter Physics ,01 natural sciences ,Poly(methyl methacrylate) ,Atomic and Molecular Physics, and Optics ,Electronic, Optical and Magnetic Materials ,law.invention ,Molecular dynamics ,chemistry.chemical_compound ,Differential scanning calorimetry ,chemistry ,Chemical engineering ,law ,visual_art ,0103 physical sciences ,visual_art.visual_art_medium ,Electrical and Electronic Engineering ,Methyl methacrylate - Abstract
Synthesized reduced graphene oxide–poly(methyl methacrylate) (RGO–PMMA) nanocomposites were characterized by differential scanning calorimetry, thermogravimetric analysis, and probed for volatile organic compounds (VOC) sensing. A molecular dynamics simulation is performed to investigate the interaction between PMMA and a graphene surface. The condensed-phase optimized molecular potentials for atomistic simulation studies (COMPASS), polymer consistent force-field (PCFF) and consistent valence force-field (CVFF) are used to describe the interaction of the graphene–PMMA. None of the three simulated force fields COMPASS, PCFF, and CVFF exhibits a distinctive behaviour of interaction between graphene and PMMA, but CVFF predicts a higher interaction energy in comparison with the simulated force fields COMPASS and PCFF. Experimentally, the selective response for different VOC has been analysed and the highest response together with the fastest recovery is obtained for tetrahydrofuran. A model is introduced explaining observed features.
- Published
- 2019
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