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

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 ?E for all...

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Main Authors: Lee, Tin Sin, Bee, Soo-Tueen, Ang, Rui-Ren, Tee, Tiam-Ting, Phang, Siew-Wei, Rahmat, Abdul Razak
Format: Article
Published: Walter de Gruyter GmbH 2015
Subjects:
TP Chemical technology
Online Access:http://eprints.utm.my/id/eprint/56005/
http://dx.doi.org/10.1515/polyeng-2014-0232
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spelling my.utm.560052017-02-15T00:43:05Z http://eprints.utm.my/id/eprint/56005/ Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol Lee, Tin Sin Bee, Soo-Tueen Ang, Rui-Ren Tee, Tiam-Ting Phang, Siew-Wei Rahmat, Abdul Razak TP Chemical technology 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 ?E 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. Walter de Gruyter GmbH 2015-06 Article PeerReviewed Lee, Tin Sin and Bee, Soo-Tueen and Ang, Rui-Ren and Tee, Tiam-Ting and Phang, Siew-Wei and Rahmat, Abdul Razak (2015) Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol. Journal of Polymer Engineering, 35 (5). pp. 423-435. ISSN 0334-6447 http://dx.doi.org/10.1515/polyeng-2014-0232 DOI:10.1515/polyeng-2014-0232
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic TP Chemical technology
spellingShingle TP Chemical technology
Lee, Tin Sin
Bee, Soo-Tueen
Ang, Rui-Ren
Tee, Tiam-Ting
Phang, Siew-Wei
Rahmat, Abdul Razak
Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
description 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 ?E 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.
format Article
author Lee, Tin Sin
Bee, Soo-Tueen
Ang, Rui-Ren
Tee, Tiam-Ting
Phang, Siew-Wei
Rahmat, Abdul Razak
author_facet Lee, Tin Sin
Bee, Soo-Tueen
Ang, Rui-Ren
Tee, Tiam-Ting
Phang, Siew-Wei
Rahmat, Abdul Razak
author_sort Lee, Tin Sin
title Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
title_short Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
title_full Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
title_fullStr Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
title_full_unstemmed Interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
title_sort interaction simulation and experimental physico-mechanical analysis of distinct polarity blends of polyethylene and polyvinyl alcohol
publisher Walter de Gruyter GmbH
publishDate 2015
url http://eprints.utm.my/id/eprint/56005/
http://dx.doi.org/10.1515/polyeng-2014-0232
_version_ 1643653966306738176
score 13.211869

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