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Synergistic effect between CuCr 2 O 4 nanoparticles and plasticizer on mechanical properties of EP/PU/CuCr 2 O 4 nanocomposites: Experimental approach and molecular dynamics simulation
Author(s) -
Sarafrazi Marzieh,
Ghasemi Ahmad Reza,
Hamadanian Masood
Publication year - 2020
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/app.49425
Subject(s) - materials science , nanocomposite , ultimate tensile strength , thermogravimetric analysis , fourier transform infrared spectroscopy , nanoparticle , response surface methodology , composite material , scanning electron microscope , chemical engineering , nuclear chemistry , nanotechnology , chemistry , chromatography , engineering
In this research, copper chromite (CuCr 2 O 4 ) nanoparticles (NPs) were synthesized by the sol–gel auto‐combustion method. The effects of CuCr 2 O 4 NPs and polyurethane (PU) on the tensile strength of the epoxy (EP) resin were studied by considering different weight percentages (wt%). The response surface methodology (RSM) coupled with central composite design (CCD) (RSM/CCD) methods were also used to optimize the Young's modulus, yield strength, and ultimate tensile strength of the EP/PU/CuCr 2 O 4 nanocomposites. The composition structure and morphology of the EP/PU/CuCr 2 O 4 nanocomposites were determined using the Fourier Transform Infrared spectroscopy (FT‐IR), X‐ray diffraction, UV–vis diffuse reflection, Scanning Electron Microscopy, X‐ray energy dispersive spectroscopy, and thermogravimetric analysis. It was also shown that the RSM/CCD methods could be utilized effectively to find the optimum process variables in the tensile test of the EP/PU/CuCr 2 O 4 nanocomposites. Moreover, the tensile test revealed that the presence of the CuCr 2 O 4 NPs in the EP/PU matrix improved the mechanical properties. Best results were obtained with the 0.76 wt% of the CuCr 2 O 4 NPs and the 2.6 wt% PU in the epoxy resin. The molecular dynamic simulation was used to illustrate the effect of the NPs on the interaction energy and mechanical properties of this nanocomposite. The calculated interaction energy for the EP/PU/CuCr 2 O 4 nanocomposites was −437.96 Kcal/mol. The results showed that Young's modulus had relative agreement with the experimental results.