Critical Thickness of Free-Standing Nanothin Films Made of Melted Polyethylene Chains via Molecular Dynamics
Por:
Gonzalez-Mijangos, Jose Antonio, Lima, Enrique, Guerra-Gonzalez, Roberto, Ramirez-Zavaleta, Fernando Iguazu, Rivera, Jose Luis
Publicada:
1 oct 2021
Resumen:
The mechanical stability of nanothin free-standing films made of melted
polyethylene chains was predicted via molecular dynamics simulations in
the range of 373.15-673.15 K. The predicted critical thickness, tc,
increased with the square of the temperature, T, with additional chains
needed as T increased. From T = 373.15 K up to the thermal limit of
stability for polyethylene, tc values were in the range of nanothin
thicknesses (3.42-5.63 nm), which approximately corresponds to 44-55
chains per 100 nm(2). The density at the center of the layer and the
interfacial properties studied (density profiles, interfacial thickness,
and radius of gyration) showed independence from the film thickness at
the same T. The polyethylene layer at its tc showed a lower melting T (<
373.15 K) than bulk polyethylene.
Filiaciones:
Gonzalez-Mijangos, Jose Antonio:
Facultad de Ciencias Físico-Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo, Morelia, 58000, Mexico
Univ Michoacana, Fac Ciencias Fis Math, Morelia 58000, Michoacan, Mexico
Lima, Enrique:
Laboratorio de Fisicoquímica y Reactividad de Superficies (LaFReS), Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, CU, Del. Coyoacán, Ciudad de México, 04510, Mexico
Univ Nacl Autonoma Mexico, Inst Invest Mat, Lab Fisicoquim & Reactiv Superficies LaFReS, Circuito Exterior S-N,CU,Del, Mexico City, DF, Mexico
Guerra-Gonzalez, Roberto:
Facultad de Ingeniería Química, Universidad Michoacana de San Nicolás de Hidalgo, Morelia, 58000, Mexico
Univ San Nicolas Hidalgo, Fac Ingn Quim, Morelia 58000, Michoacan, Mexico
Ramirez-Zavaleta, Fernando Iguazu:
Facultad de Ciencias Físico-Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo, Morelia, 58000, Mexico
Univ Michoacana, Fac Ciencias Fis Math, Morelia 58000, Michoacan, Mexico
Rivera, Jose Luis:
Facultad de Ciencias Físico-Matemáticas, Universidad Michoacana de San Nicolás de Hidalgo, Morelia, 58000, Mexico
Univ Michoacana, Fac Ciencias Fis Math, Morelia 58000, Michoacan, Mexico
gold, Green Published, All Open Access, Gold, Green
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