Degradation of polyvinyl alcohol under mechanothermal stretching. uri icon

abstract

  • Mechanical and thermal properties of polyvinyl alcohol (PVA) are characterized and analyzed using in situ X-ray photoelectron spectroscopy (XPS) and quantum chemistry calculations. It is found that the carbon peaks-commonly used as the reference for spectroscopic analysis-shift under mechanical and thermal stretching. Results also indicate that, at different temperatures and among the various functional groups present in PVA, the carbon in the C-O group is the most stable. Computational calculations showed that Hartree-Fock/10-31G (d) reproduces the binding energy of core carbon electrons with an accuracy of 95%, which is enough to characterize bonds, allowing the results of the spectroscopic analysis to be corroborated.

published proceedings

  • J Mol Model

author list (cited authors)

  • Cristancho, D., Zhou, Y., Cooper, R., Huitink, D., Aksoy, F., Liu, Z., Liang, H., & Seminario, J. M.

citation count

  • 11

complete list of authors

  • Cristancho, Dahiyana||Zhou, Yan||Cooper, Rodrigo||Huitink, David||Aksoy, Funda||Liu, Zhi||Liang, Hong||Seminario, Jorge M

publication date

  • August 2013