Molecular recognition and interaction of polyamide thin film composite on the hydrophobic and hydrophilic polymeric subtract
Thin Film Composite Membranes (TFC) has drawn the researchers and industries due to the superior performance and long-lasting performance compare to pristine pervaporation membrane. TFC is a less than 0.2 μm active layer which layered on the subtract membrane mainly use in pervaporation. In order to...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2019
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| Online Access: | http://umpir.ump.edu.my/id/eprint/28830/1/Molecular_Recognition_and_Interaction_of_Polyamide.pdf |
| _version_ | 1825813421578256384 |
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| author | Wan Zulaisa Amira, Wan Jusoh Sunarti, Abdul Rahman Abdul Latif, Ahmad Nadzirah, Mohd Mokhtar |
| author_facet | Wan Zulaisa Amira, Wan Jusoh Sunarti, Abdul Rahman Abdul Latif, Ahmad Nadzirah, Mohd Mokhtar |
| author_sort | Wan Zulaisa Amira, Wan Jusoh |
| collection | UMP |
| description | Thin Film Composite Membranes (TFC) has drawn the researchers and industries due to the superior performance and long-lasting performance compare to pristine pervaporation membrane. TFC is a less than 0.2 μm active layer which layered on the subtract membrane mainly use in pervaporation. In order to obtain high mechanical strength in the support membrane, researchers prefer to apply for hydrophobic supports over to hydrophilic which often neglect the interaction between those membrane supports with the TFC. The success of the TFC membrane is, however, depending on how well TFC attached on support membrane as it is also related to the permeate penetration pathway. As the depositing of the TFC on the support layer however very crucial to be highlighted, this paper focus to examine the interaction molecules between TFC layer and different properties of the support membrane Nylon 6,6 (N66) and Polyvinylidene fluoride (PVDF) by using 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 was check and calculated show a good agreement with available experimental where the deviation less than 6%. The comparison between hydrophobic and hydrophilic of the support membrane was found as the larger contribution toward the distance and intensity of Radial Distribution Function (RDF’s) trends. The first interaction atom was at the distance 2.25 Å in the N66 system, meanwhile, 3.25 Å inside the PVDF system with the intensity of 2.97 and 1.04 Å respectively. This study purposed that the TFC deposition was better on the N66 membrane than on the PVDF membrane due to similar properties. The solubility in the tertiary system (when exposing monomers to polymeric subtracts) were not significant compared with the binary system in the provided simulation time. However, the balance of aqueous and organic monomers is necessary to avoid the swelling effect on the subtract membrane. |
| first_indexed | 2024-03-06T12:43:46Z |
| format | Article |
| id | UMPir28830 |
| institution | Universiti Malaysia Pahang |
| language | English |
| last_indexed | 2024-03-06T12:43:46Z |
| publishDate | 2019 |
| publisher | Elsevier |
| record_format | dspace |
| spelling | UMPir288302020-07-21T02:37:20Z http://umpir.ump.edu.my/id/eprint/28830/ Molecular recognition and interaction of polyamide thin film composite on the hydrophobic and hydrophilic polymeric subtract Wan Zulaisa Amira, Wan Jusoh Sunarti, Abdul Rahman Abdul Latif, Ahmad Nadzirah, Mohd Mokhtar T Technology (General) TA Engineering (General). Civil engineering (General) TP Chemical technology Thin Film Composite Membranes (TFC) has drawn the researchers and industries due to the superior performance and long-lasting performance compare to pristine pervaporation membrane. TFC is a less than 0.2 μm active layer which layered on the subtract membrane mainly use in pervaporation. In order to obtain high mechanical strength in the support membrane, researchers prefer to apply for hydrophobic supports over to hydrophilic which often neglect the interaction between those membrane supports with the TFC. The success of the TFC membrane is, however, depending on how well TFC attached on support membrane as it is also related to the permeate penetration pathway. As the depositing of the TFC on the support layer however very crucial to be highlighted, this paper focus to examine the interaction molecules between TFC layer and different properties of the support membrane Nylon 6,6 (N66) and Polyvinylidene fluoride (PVDF) by using 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 was check and calculated show a good agreement with available experimental where the deviation less than 6%. The comparison between hydrophobic and hydrophilic of the support membrane was found as the larger contribution toward the distance and intensity of Radial Distribution Function (RDF’s) trends. The first interaction atom was at the distance 2.25 Å in the N66 system, meanwhile, 3.25 Å inside the PVDF system with the intensity of 2.97 and 1.04 Å respectively. This study purposed that the TFC deposition was better on the N66 membrane than on the PVDF membrane due to similar properties. The solubility in the tertiary system (when exposing monomers to polymeric subtracts) were not significant compared with the binary system in the provided simulation time. However, the balance of aqueous and organic monomers is necessary to avoid the swelling effect on the subtract membrane. Elsevier 2019 Article PeerReviewed pdf en cc_by_4 http://umpir.ump.edu.my/id/eprint/28830/1/Molecular_Recognition_and_Interaction_of_Polyamide.pdf Wan Zulaisa Amira, Wan Jusoh and Sunarti, Abdul Rahman and Abdul Latif, Ahmad and Nadzirah, Mohd Mokhtar (2019) Molecular recognition and interaction of polyamide thin film composite on the hydrophobic and hydrophilic polymeric subtract. Materials today proceedings, 19 (4). pp. 1151-1158. ISSN 2214-7853. (Published) http://www.sciencedirect.com https://doi.org/10.1016/j.matpr.2019.11.008 |
| spellingShingle | T Technology (General) TA Engineering (General). Civil engineering (General) TP Chemical technology Wan Zulaisa Amira, Wan Jusoh Sunarti, Abdul Rahman Abdul Latif, Ahmad Nadzirah, Mohd Mokhtar Molecular recognition and interaction of polyamide thin film composite on the hydrophobic and hydrophilic polymeric subtract |
| title | Molecular recognition and interaction of polyamide thin film
composite on the hydrophobic and hydrophilic polymeric subtract |
| title_full | Molecular recognition and interaction of polyamide thin film
composite on the hydrophobic and hydrophilic polymeric subtract |
| title_fullStr | Molecular recognition and interaction of polyamide thin film
composite on the hydrophobic and hydrophilic polymeric subtract |
| title_full_unstemmed | Molecular recognition and interaction of polyamide thin film
composite on the hydrophobic and hydrophilic polymeric subtract |
| title_short | Molecular recognition and interaction of polyamide thin film
composite on the hydrophobic and hydrophilic polymeric subtract |
| title_sort | molecular recognition and interaction of polyamide thin film composite on the hydrophobic and hydrophilic polymeric subtract |
| topic | T Technology (General) TA Engineering (General). Civil engineering (General) TP Chemical technology |
| url | http://umpir.ump.edu.my/id/eprint/28830/1/Molecular_Recognition_and_Interaction_of_Polyamide.pdf |
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