Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine

Polyamide thin film composite (TFC) membranes are well known for their performance and strength which normally applied in pervaporation dehydration and reverse osmosis field. TFC is produced by the rapid reaction between aqueous and organic monomer. However, the interaction between monomers is not w...

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Main Authors:	Wan Zulaisa Amira, Wan Jusoh, Sunarti, Abd Rahman, A. L., Ahmad, N. M., Mohktar
Format:	Article
Language:	English
Published:	Penerbit UMP 2019
Subjects:	TP Chemical technology
Online Access:	http://umpir.ump.edu.my/id/eprint/25215/ http://umpir.ump.edu.my/id/eprint/25215/ http://umpir.ump.edu.my/id/eprint/25215/1/Radial%20Distribution%20Function%20Analysis.pdf

id	ump-25215
recordtype	eprints
spelling	ump-252152020-02-28T02:15:37Z http://umpir.ump.edu.my/id/eprint/25215/ Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine Wan Zulaisa Amira, Wan Jusoh Sunarti, Abd Rahman A. L., Ahmad N. M., Mohktar TP Chemical technology Polyamide thin film composite (TFC) membranes are well known for their performance and strength which normally applied in pervaporation dehydration and reverse osmosis field. TFC is produced by the rapid reaction between aqueous and organic monomer. However, the interaction between monomers is not well discussed at the atomic level and there is no precise tool to measure the effectiveness of the selection of organic with the aqueous monomer to form a stable TFC layer. Thus, this paper aims to analyze the interaction between aqueous monomer and organic monomer using the Molecular Dynamic (MD) simulation to form the TFC membrane. This work was done by using Piperazine (PIP) as the aqueous monomer with the combination of Trimesoyl Chloride (TMC) as the organic monomer in the binary systems. The simulation involved the setting of Ewald Summation Method, COMPASS force field, equilibrium phase by microcanonical, NVE (constant volumes and total energy) and run-production stage by NPT (constant pressure and temperature). Analysis by the Radial distribution function (RDF) explicates the intermolecular interfacial of 5.75 Å between the bonding of N (Amine) - C (TMC) atoms at the distance of 1.0 Å. This study suggested that the TFC formed by the interaction between TMC - PIP is very much stable based on the higher interaction in a very short distance. Penerbit UMP 2019 Article PeerReviewed pdf en http://umpir.ump.edu.my/id/eprint/25215/1/Radial%20Distribution%20Function%20Analysis.pdf Wan Zulaisa Amira, Wan Jusoh and Sunarti, Abd Rahman and A. L., Ahmad and N. M., Mohktar (2019) Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine. International Journal of Engineering Technology And Sciences (IJETS), 6 (1). pp. 55-61. ISSN 2289-697X http://journal.ump.edu.my/ijets/article/view/1506
repository_type	Digital Repository
institution_category	Local University
institution	Universiti Malaysia Pahang
building	UMP Institutional Repository
collection	Online Access
language	English
topic	TP Chemical technology
spellingShingle	TP Chemical technology Wan Zulaisa Amira, Wan Jusoh Sunarti, Abd Rahman A. L., Ahmad N. M., Mohktar Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine
description	Polyamide thin film composite (TFC) membranes are well known for their performance and strength which normally applied in pervaporation dehydration and reverse osmosis field. TFC is produced by the rapid reaction between aqueous and organic monomer. However, the interaction between monomers is not well discussed at the atomic level and there is no precise tool to measure the effectiveness of the selection of organic with the aqueous monomer to form a stable TFC layer. Thus, this paper aims to analyze the interaction between aqueous monomer and organic monomer using the Molecular Dynamic (MD) simulation to form the TFC membrane. This work was done by using Piperazine (PIP) as the aqueous monomer with the combination of Trimesoyl Chloride (TMC) as the organic monomer in the binary systems. The simulation involved the setting of Ewald Summation Method, COMPASS force field, equilibrium phase by microcanonical, NVE (constant volumes and total energy) and run-production stage by NPT (constant pressure and temperature). Analysis by the Radial distribution function (RDF) explicates the intermolecular interfacial of 5.75 Å between the bonding of N (Amine) - C (TMC) atoms at the distance of 1.0 Å. This study suggested that the TFC formed by the interaction between TMC - PIP is very much stable based on the higher interaction in a very short distance.
format	Article
author	Wan Zulaisa Amira, Wan Jusoh Sunarti, Abd Rahman A. L., Ahmad N. M., Mohktar
author_facet	Wan Zulaisa Amira, Wan Jusoh Sunarti, Abd Rahman A. L., Ahmad N. M., Mohktar
author_sort	Wan Zulaisa Amira, Wan Jusoh
title	Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine
title_short	Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine
title_full	Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine
title_fullStr	Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine
title_full_unstemmed	Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine
title_sort	radial distribution function analysis of the polyamide thin film composite formation using trimesoyl chloride and piperazine
publisher	Penerbit UMP
publishDate	2019
url	http://umpir.ump.edu.my/id/eprint/25215/ http://umpir.ump.edu.my/id/eprint/25215/ http://umpir.ump.edu.my/id/eprint/25215/1/Radial%20Distribution%20Function%20Analysis.pdf
first_indexed	2023-09-18T22:38:36Z
last_indexed	2023-09-18T22:38:36Z
_version_	1777416762703216640

Radial Distribution Function Analysis of the Polyamide Thin Film Composite formation using Trimesoyl Chloride and Piperazine

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