Molecular structures of cooking palm oil in gas phase modelled by density functional theory

Molecular structures of cooking palm oil in gas phase modelled by density functional theory

In recent year, there are several reports on the growth of carbon nanotube (CNT) and graphene using a natural source, namely cooking palm oil. However, the accurate geometry and composition of the palm oil molecules are rarely found in literature. In this article, a molecular model is proposed to pr...

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Main Authors: Maarof, Saleha, Ali, Amgad Ahmed, Hashim, Abdul Manaf
Format: Conference or Workshop Item
Published: 2019
Subjects:
TA Engineering (General). Civil engineering (General)
Online Access:http://eprints.utm.my/id/eprint/89634/
http://dx.doi.org/10.1016/j.matpr.2018.12.073
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Institution: Universiti Teknologi Malaysia
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spelling my.utm.896342021-02-22T06:08:25Z http://eprints.utm.my/id/eprint/89634/ Molecular structures of cooking palm oil in gas phase modelled by density functional theory Maarof, Saleha Ali, Amgad Ahmed Hashim, Abdul Manaf TA Engineering (General). Civil engineering (General) In recent year, there are several reports on the growth of carbon nanotube (CNT) and graphene using a natural source, namely cooking palm oil. However, the accurate geometry and composition of the palm oil molecules are rarely found in literature. In this article, a molecular model is proposed to predict the geometry and molecular structure of the cooking palm oil using density functional theory (DFT) in correlation with other quantum chemistry calculations. Such model is expected to help the researcher in the design of chemical reactions needed for the deposition carbon nanomaterials by chemical vapor deposition (CVD) or pyrolysis. The results of the computational analysis were validated and confirmed to be in good agreement with the measured Fourier transformed infrared (FTIR) and proton nuclear magnetic resonance (1H-NMR) spectra. 2019-05 Conference or Workshop Item PeerReviewed Maarof, Saleha and Ali, Amgad Ahmed and Hashim, Abdul Manaf (2019) Molecular structures of cooking palm oil in gas phase modelled by density functional theory. In: 2018 Nanotech Malaysia, 7 May 2018 through 9 May 2018, Universiti Teknologi Malaysia Kuala Lumpur, Malaysia. http://dx.doi.org/10.1016/j.matpr.2018.12.073
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 TA Engineering (General). Civil engineering (General)
spellingShingle TA Engineering (General). Civil engineering (General)
Maarof, Saleha
Ali, Amgad Ahmed
Hashim, Abdul Manaf
Molecular structures of cooking palm oil in gas phase modelled by density functional theory
description In recent year, there are several reports on the growth of carbon nanotube (CNT) and graphene using a natural source, namely cooking palm oil. However, the accurate geometry and composition of the palm oil molecules are rarely found in literature. In this article, a molecular model is proposed to predict the geometry and molecular structure of the cooking palm oil using density functional theory (DFT) in correlation with other quantum chemistry calculations. Such model is expected to help the researcher in the design of chemical reactions needed for the deposition carbon nanomaterials by chemical vapor deposition (CVD) or pyrolysis. The results of the computational analysis were validated and confirmed to be in good agreement with the measured Fourier transformed infrared (FTIR) and proton nuclear magnetic resonance (1H-NMR) spectra.
format Conference or Workshop Item
author Maarof, Saleha
Ali, Amgad Ahmed
Hashim, Abdul Manaf
author_facet Maarof, Saleha
Ali, Amgad Ahmed
Hashim, Abdul Manaf
author_sort Maarof, Saleha
title Molecular structures of cooking palm oil in gas phase modelled by density functional theory
title_short Molecular structures of cooking palm oil in gas phase modelled by density functional theory
title_full Molecular structures of cooking palm oil in gas phase modelled by density functional theory
title_fullStr Molecular structures of cooking palm oil in gas phase modelled by density functional theory
title_full_unstemmed Molecular structures of cooking palm oil in gas phase modelled by density functional theory
title_sort molecular structures of cooking palm oil in gas phase modelled by density functional theory
publishDate 2019
url http://eprints.utm.my/id/eprint/89634/
http://dx.doi.org/10.1016/j.matpr.2018.12.073
_version_ 1692991805271834624

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