Perfluorooctanesulfonic acid Sorption onto Polyethylene Microplastics: A Simulation-Driven Response Surface Optimization via Central Composite Design.
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| Title: | Perfluorooctanesulfonic acid Sorption onto Polyethylene Microplastics: A Simulation-Driven Response Surface Optimization via Central Composite Design. |
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| Authors: | Enyoh, Christian Ebere1 cenyoh@gmail.com, Wang Qingyue1, Ovuoraye, Prosper Eguono2, Senlin Lu3, Egbosiuba, Titus Chinedu4,5,6 |
| Source: | Journal of Engineering & Technological Sciences. 2025, Vol. 57 Issue 1, p11-26. 16p. |
| Subjects: | Fluoroalkyl compounds, Sorption techniques, Perfluorooctane sulfonate, Binding energy, Environmental remediation, Plastic marine debris |
| Abstract: | This study demonstrates the application of response surface modeling within a Central Composite Design (CCD) to optimize the sorption processes of perfluorooctanesulfonic acid (PFOS) onto polyethylene microplastics (PE MPs), using simulation-based data from Grand Canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. The investigation intricately analyzes the complex interactions governing sorption phenomena (i.e. temperature and PFOS loading counts) with responses such as sorption energy, sorption density, and binding energy, employing RSM within a CCD framework. The optimization process established that the PE MPs sorption energy and sorption density were significantly dependent on PFOS loading counts in an aqueous environment. The result provides that at elevated temperature binding energy of PE MPs to Per- and polyfluoroalkyl substances was also dependent on PFOS loading counts due to associated low sensitivity temperature in the system. Optimal conditions are unveiled, enhancing sorption energy by -181.89 Kcal/mol, binding energy by -161.02 Kcal/mol, and sorption density by 1.42 g/cm³. The interaction of temperature and PFOS loading count is thoroughly examined, revealing their respective influences on sorption dynamics. These findings significantly advance our comprehension of PFOS sorption processes, fostering improved strategies for environmental remediation involving microplastic-driven sorption phenomena. [ABSTRACT FROM AUTHOR] |
| Copyright of Journal of Engineering & Technological Sciences is the property of Institut Teknologi Bandung and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) | |
| Database: | Engineering Source |
| FullText | Links: – Type: pdflink Text: Availability: 0 |
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| Header | DbId: egs DbLabel: Engineering Source An: 183163500 AccessLevel: 6 PubType: Academic Journal PubTypeId: academicJournal PreciseRelevancyScore: 0 |
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| Items | – Name: Title Label: Title Group: Ti Data: Perfluorooctanesulfonic acid Sorption onto Polyethylene Microplastics: A Simulation-Driven Response Surface Optimization via Central Composite Design. – Name: Author Label: Authors Group: Au Data: <searchLink fieldCode="AR" term="%22Enyoh%2C+Christian+Ebere%22">Enyoh, Christian Ebere</searchLink><relatesTo>1</relatesTo><i> cenyoh@gmail.com</i><br /><searchLink fieldCode="AR" term="%22Wang+Qingyue%22">Wang Qingyue</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Ovuoraye%2C+Prosper+Eguono%22">Ovuoraye, Prosper Eguono</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Senlin+Lu%22">Senlin Lu</searchLink><relatesTo>3</relatesTo><br /><searchLink fieldCode="AR" term="%22Egbosiuba%2C+Titus+Chinedu%22">Egbosiuba, Titus Chinedu</searchLink><relatesTo>4,5,6</relatesTo> – Name: TitleSource Label: Source Group: Src Data: <searchLink fieldCode="JN" term="%22Journal+of+Engineering+%26+Technological+Sciences%22">Journal of Engineering & Technological Sciences</searchLink>. 2025, Vol. 57 Issue 1, p11-26. 16p. – Name: Subject Label: Subjects Group: Su Data: <searchLink fieldCode="DE" term="%22Fluoroalkyl+compounds%22">Fluoroalkyl compounds</searchLink><br /><searchLink fieldCode="DE" term="%22Sorption+techniques%22">Sorption techniques</searchLink><br /><searchLink fieldCode="DE" term="%22Perfluorooctane+sulfonate%22">Perfluorooctane sulfonate</searchLink><br /><searchLink fieldCode="DE" term="%22Binding+energy%22">Binding energy</searchLink><br /><searchLink fieldCode="DE" term="%22Environmental+remediation%22">Environmental remediation</searchLink><br /><searchLink fieldCode="DE" term="%22Plastic+marine+debris%22">Plastic marine debris</searchLink> – Name: Abstract Label: Abstract Group: Ab Data: This study demonstrates the application of response surface modeling within a Central Composite Design (CCD) to optimize the sorption processes of perfluorooctanesulfonic acid (PFOS) onto polyethylene microplastics (PE MPs), using simulation-based data from Grand Canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations. The investigation intricately analyzes the complex interactions governing sorption phenomena (i.e. temperature and PFOS loading counts) with responses such as sorption energy, sorption density, and binding energy, employing RSM within a CCD framework. The optimization process established that the PE MPs sorption energy and sorption density were significantly dependent on PFOS loading counts in an aqueous environment. The result provides that at elevated temperature binding energy of PE MPs to Per- and polyfluoroalkyl substances was also dependent on PFOS loading counts due to associated low sensitivity temperature in the system. Optimal conditions are unveiled, enhancing sorption energy by -181.89 Kcal/mol, binding energy by -161.02 Kcal/mol, and sorption density by 1.42 g/cm³. The interaction of temperature and PFOS loading count is thoroughly examined, revealing their respective influences on sorption dynamics. These findings significantly advance our comprehension of PFOS sorption processes, fostering improved strategies for environmental remediation involving microplastic-driven sorption phenomena. [ABSTRACT FROM AUTHOR] – Name: AbstractSuppliedCopyright Label: Group: Ab Data: <i>Copyright of Journal of Engineering & Technological Sciences is the property of Institut Teknologi Bandung and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.) |
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| RecordInfo | BibRecord: BibEntity: Identifiers: – Type: doi Value: 10.5614/j.eng.technol.sci.2025.57.1.2 Languages: – Code: eng Text: English PhysicalDescription: Pagination: PageCount: 16 StartPage: 11 Subjects: – SubjectFull: Fluoroalkyl compounds Type: general – SubjectFull: Sorption techniques Type: general – SubjectFull: Perfluorooctane sulfonate Type: general – SubjectFull: Binding energy Type: general – SubjectFull: Environmental remediation Type: general – SubjectFull: Plastic marine debris Type: general Titles: – TitleFull: Perfluorooctanesulfonic acid Sorption onto Polyethylene Microplastics: A Simulation-Driven Response Surface Optimization via Central Composite Design. Type: main BibRelationships: HasContributorRelationships: – PersonEntity: Name: NameFull: Enyoh, Christian Ebere – PersonEntity: Name: NameFull: Wang Qingyue – PersonEntity: Name: NameFull: Ovuoraye, Prosper Eguono – PersonEntity: Name: NameFull: Senlin Lu – PersonEntity: Name: NameFull: Egbosiuba, Titus Chinedu IsPartOfRelationships: – BibEntity: Dates: – D: 01 M: 01 Text: 2025 Type: published Y: 2025 Identifiers: – Type: issn-print Value: 23375779 Numbering: – Type: volume Value: 57 – Type: issue Value: 1 Titles: – TitleFull: Journal of Engineering & Technological Sciences Type: main |
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