Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol

Lee Tin Sin; Soo-Tueen Bee; Rui-Ren Ang; Tiam-Ting Tee; Siew-Wei Phang; Abdul R. Rahmat

doi:10.1515/polyeng-2014-0232

Article

Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol

Lee Tin Sin , Soo-Tueen Bee , Rui-Ren Ang , Tiam-Ting Tee , Siew-Wei Phang and Abdul R. Rahmat

Published/Copyright: December 24, 2014

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From the journal Journal of Polymer Engineering Volume 35 Issue 5

Abstract

This paper aimed to investigate the interaction of distinct polarity polymer blends of polyethylene and polyvinyl alcohol (PVOH). Molecular mechanics and dynamics simulation were employed to determine the stability of polyethylene and PVOH complexes. It was found that the binding energies ΔE for all complexes of polyethylene and PVOH are negative values indicating that the interactions between both components are favorable to achieve a lower energy hierarchy. Such interactions are induced by the high polarity hydroxyl groups of PVOH which caused weak distortion to the dipole moment of inherently non-polar polyethylene. Furthermore, the molecular simulation results were compared with tensile strength, X-ray diffraction and morphology analyses. Tensile strength analysis revealed there was a reduction of magnitude for varying PVOH before achieving a maximum value. Adding small quantities of PVOH in polyethylene as the different polar elements would affect the ordered structure within the blends. Nevertheless, the reduction is insignificant due to the polarity of PVOH which has a slightly distorted polar network of polyethylene. The addition of PVOH (5–15 parts per hundred) into a polyethylene matrix has significantly reduced the crystallinity of the polyethylene matrix by disturbing the highly ordered arrangement structures.

Keywords: mechanical properties; molecular simulation; polyethylene; polyvinyl alcohol; stability

Corresponding authors: Lee Tin Sin and Soo-Tueen Bee, Faculty of Engineering and Science, Department of Chemical Engineering, Universiti Tunku Abdul Rahman, Jalan Genting Kelang, 53300 Setapak, Kuala Lumpur, Malaysia, e-mail: direct.tinsin@gmail.com, direct.beest@gmail.com

Acknowledgments

This research was financially supported by the Universiti Tunku Abdul Rahman Research Fund (UTARRF).

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Received: 2014-8-20

Accepted: 2014-11-9

Published Online: 2014-12-24

Published in Print: 2015-6-1

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Articles in the same Issue

https://doi.org/10.1515/polyeng-2014-0232

Keywords for this article

mechanical properties; molecular simulation; polyethylene; polyvinyl alcohol; stability