Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic

Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic

This paper focus to examine the best molecular interaction between Polyamide Thin Film Composite (PA TFC) layers with different properties of the support membrane. The support membrane of Nylon 66 (N66) and Polyvinylidene fluoride (PVDF) was chosen to represent the hydrophilic and hydrophobic model...

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Main Authors: Wan Zulaisa Amira, Wan Jusoh, Sunarti, Abd Rahman, Abdul Latif, Ahmad, Nadzirah, Mohd Mokhtar
Format: Article
Language:English
Published: Elsevier 2019
Subjects:
QD Chemistry
TP Chemical technology
Online Access:http://umpir.ump.edu.my/id/eprint/25138/
http://umpir.ump.edu.my/id/eprint/25138/
http://umpir.ump.edu.my/id/eprint/25138/
http://umpir.ump.edu.my/id/eprint/25138/1/Data%20for%20molecular%20recognition%20between%20polyamide%20thinfilm.pdf
id ump-25138
recordtype eprints
spelling ump-251382020-02-28T02:14:38Z http://umpir.ump.edu.my/id/eprint/25138/ Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic Wan Zulaisa Amira, Wan Jusoh Sunarti, Abd Rahman Abdul Latif, Ahmad Nadzirah, Mohd Mokhtar QD Chemistry TP Chemical technology This paper focus to examine the best molecular interaction between Polyamide Thin Film Composite (PA TFC) layers with different properties of the support membrane. The support membrane of Nylon 66 (N66) and Polyvinylidene fluoride (PVDF) was chosen to represent the hydrophilic and hydrophobic model respectively in the Molecular Dynamic (MD) simulation. The Condensed-Phase Optimized Molecular Potential for Atomistic Simulation Studies (COMPASS) force field was used with the total simulation runs were set 1000 picoseconds run production ensembles. The temperature and pressure set for both ensembles were 298 K and 1 atm respectively. The validity of our model densities data was check and calculated where the deviation must be less than 6%. The comparison between hydrophobic and hydrophilic of the support membrane data was examined by the distance and magnitude of intensity of the Radial Distribution Function (RDF's) trends. Elsevier 2019-06 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/25138/1/Data%20for%20molecular%20recognition%20between%20polyamide%20thinfilm.pdf Wan Zulaisa Amira, Wan Jusoh and Sunarti, Abd Rahman and Abdul Latif, Ahmad and Nadzirah, Mohd Mokhtar (2019) Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic. Data in Brief, 24 (103910). pp. 1-7. ISSN 2352-3409 https://doi.org/10.1016/j.dib.2019.103910 https://doi.org/10.1016/j.dib.2019.103910
repository_type Digital Repository
institution_category Local University
institution Universiti Malaysia Pahang
building UMP Institutional Repository
collection Online Access
language English
topic QD Chemistry
TP Chemical technology
spellingShingle QD Chemistry
TP Chemical technology
Wan Zulaisa Amira, Wan Jusoh
Sunarti, Abd Rahman
Abdul Latif, Ahmad
Nadzirah, Mohd Mokhtar
Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
description This paper focus to examine the best molecular interaction between Polyamide Thin Film Composite (PA TFC) layers with different properties of the support membrane. The support membrane of Nylon 66 (N66) and Polyvinylidene fluoride (PVDF) was chosen to represent the hydrophilic and hydrophobic model respectively in the Molecular Dynamic (MD) simulation. The Condensed-Phase Optimized Molecular Potential for Atomistic Simulation Studies (COMPASS) force field was used with the total simulation runs were set 1000 picoseconds run production ensembles. The temperature and pressure set for both ensembles were 298 K and 1 atm respectively. The validity of our model densities data was check and calculated where the deviation must be less than 6%. The comparison between hydrophobic and hydrophilic of the support membrane data was examined by the distance and magnitude of intensity of the Radial Distribution Function (RDF's) trends.
format Article
author Wan Zulaisa Amira, Wan Jusoh
Sunarti, Abd Rahman
Abdul Latif, Ahmad
Nadzirah, Mohd Mokhtar
author_facet Wan Zulaisa Amira, Wan Jusoh
Sunarti, Abd Rahman
Abdul Latif, Ahmad
Nadzirah, Mohd Mokhtar
author_sort Wan Zulaisa Amira, Wan Jusoh
title Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
title_short Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
title_full Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
title_fullStr Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
title_full_unstemmed Data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
title_sort data for molecular recognition between polyamide thin film composite on the polymeric subtract by molecular dynamic
publisher Elsevier
publishDate 2019
url http://umpir.ump.edu.my/id/eprint/25138/
http://umpir.ump.edu.my/id/eprint/25138/
http://umpir.ump.edu.my/id/eprint/25138/
http://umpir.ump.edu.my/id/eprint/25138/1/Data%20for%20molecular%20recognition%20between%20polyamide%20thinfilm.pdf
first_indexed 2023-09-18T22:38:27Z
last_indexed 2023-09-18T22:38:27Z
_version_ 1777416753283858432

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