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2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]

Molecular dynamic simulation of 2D silica and modified silica ring interaction with water/ alpha olefin sulfonate (AOS) was conducted and the interfacial tension as well as diffusion coefficient was predicted through the analysis. The simulation was performed using Material Studio software by ass...

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Main Authors: Md Azmi, Nik Salwani, Abu Bakar, Noor Fitrah, Megat Abdullah, Megat Ariff, Abd Latif, Abd Hafiz, Tengku Mohd, Tengku Amran
Format: Article
Language:English
Published: Universiti Teknologi MARA Shah Alam 2019
Subjects:
Chemical engineering
Biotechnology
Online Access:http://ir.uitm.edu.my/id/eprint/37511/1/37511.pdf
http://ir.uitm.edu.my/id/eprint/37511/
https://mjcetfkk.uitm.edu.my/
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spelling my.uitm.ir.375112020-11-20T07:35:23Z http://ir.uitm.edu.my/id/eprint/37511/ 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.] Md Azmi, Nik Salwani Abu Bakar, Noor Fitrah Megat Abdullah, Megat Ariff Abd Latif, Abd Hafiz Tengku Mohd, Tengku Amran Chemical engineering Biotechnology Molecular dynamic simulation of 2D silica and modified silica ring interaction with water/ alpha olefin sulfonate (AOS) was conducted and the interfacial tension as well as diffusion coefficient was predicted through the analysis. The simulation was performed using Material Studio software by assuming the silica nanoparticles as a 2D structure that represents a ring-like shape. The modified 2D silica ring was attached to hexyl-trimethoxysilane (HTMS) to create more hydrophobic structure on the silica surface. The analysis of the mean square displacement (MSD) shows that the diffusion of AOS molecules in the system with modified 2D silica ring were higher than unmodified silica ring which were 0.3099 Å2 /ps and 0.2891 Å2 /ps, respectively. The surface tension for the system after 100 ps with modified 2D silica ring was also lower than surface tension for unmodified silica ring which were 1.80x1010 GPa and 2.39x1010 GPa, respectively. Universiti Teknologi MARA Shah Alam 2019 Article PeerReviewed text en http://ir.uitm.edu.my/id/eprint/37511/1/37511.pdf Md Azmi, Nik Salwani and Abu Bakar, Noor Fitrah and Megat Abdullah, Megat Ariff and Abd Latif, Abd Hafiz and Tengku Mohd, Tengku Amran (2019) 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]. Malaysian Journal of Chemical Engineering and Technology (MJCET), 2. pp. 1-7. ISSN 2682-8588 https://mjcetfkk.uitm.edu.my/
institution Universiti Teknologi Mara
building Tun Abdul Razak Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Mara
content_source UiTM Institutional Repository
url_provider http://ir.uitm.edu.my/
language English
topic Chemical engineering
Biotechnology
spellingShingle Chemical engineering
Biotechnology
Md Azmi, Nik Salwani
Abu Bakar, Noor Fitrah
Megat Abdullah, Megat Ariff
Abd Latif, Abd Hafiz
Tengku Mohd, Tengku Amran
2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]
description Molecular dynamic simulation of 2D silica and modified silica ring interaction with water/ alpha olefin sulfonate (AOS) was conducted and the interfacial tension as well as diffusion coefficient was predicted through the analysis. The simulation was performed using Material Studio software by assuming the silica nanoparticles as a 2D structure that represents a ring-like shape. The modified 2D silica ring was attached to hexyl-trimethoxysilane (HTMS) to create more hydrophobic structure on the silica surface. The analysis of the mean square displacement (MSD) shows that the diffusion of AOS molecules in the system with modified 2D silica ring were higher than unmodified silica ring which were 0.3099 Å2 /ps and 0.2891 Å2 /ps, respectively. The surface tension for the system after 100 ps with modified 2D silica ring was also lower than surface tension for unmodified silica ring which were 1.80x1010 GPa and 2.39x1010 GPa, respectively.
format Article
author Md Azmi, Nik Salwani
Abu Bakar, Noor Fitrah
Megat Abdullah, Megat Ariff
Abd Latif, Abd Hafiz
Tengku Mohd, Tengku Amran
author_facet Md Azmi, Nik Salwani
Abu Bakar, Noor Fitrah
Megat Abdullah, Megat Ariff
Abd Latif, Abd Hafiz
Tengku Mohd, Tengku Amran
author_sort Md Azmi, Nik Salwani
title 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]
title_short 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]
title_full 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]
title_fullStr 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]
title_full_unstemmed 2D-silica ring interactions with alpha olefin sulphonate (AOS) surfactant under AOS/water system using molecular dynamic simulation / Nik Salwani Md Azmi... [et al.]
title_sort 2d-silica ring interactions with alpha olefin sulphonate (aos) surfactant under aos/water system using molecular dynamic simulation / nik salwani md azmi... [et al.]
publisher Universiti Teknologi MARA Shah Alam
publishDate 2019
url http://ir.uitm.edu.my/id/eprint/37511/1/37511.pdf
http://ir.uitm.edu.my/id/eprint/37511/
https://mjcetfkk.uitm.edu.my/
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score 13.211869

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