Journal article 345 views 191 downloads
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption
Edris Jamshidi 
,
Maryam Haddadi,
Faranak Manteghi ,
Rahime Eshaghi Malekshah,
Zari Tehrani
,
Maryam Haddadi,
Faranak Manteghi ,
Rahime Eshaghi Malekshah,
Zari Tehrani
RSC Advances, Volume: 15, Issue: 27, Pages: 21240 - 21256
Swansea University Author:
Zari Tehrani
-
PDF | Version of Record
© 2025 The Author(s). This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Download (3.44MB)
DOI (Published version): 10.1039/d5ra02381e
Abstract
A copper-based metal–organic framework, nickel ferrite and graphene oxide were prepared as constituents of a new core–shell nanocomposite formed by a layer-by-layer method, then it was applied to absorb Congo Red dye as an organic contaminant. The nanocomposite was studied by XRD, FTIR, EDS, FESEM a...
| Published in: | RSC Advances |
|---|---|
| ISSN: | 2046-2069 |
| Published: |
The Royal Society of Chemistry
2025
|
| Online Access: |
Check full text
|
| URI: | https://cronfa.swan.ac.uk/Record/cronfa69865 |
| first_indexed |
2025-07-02T14:20:00Z |
|---|---|
| last_indexed |
2025-07-04T03:55:51Z |
| id |
cronfa69865 |
| recordtype |
SURis |
| fullrecord |
<?xml version="1.0"?><rfc1807><datestamp>2025-07-02T15:32:40.1371448</datestamp><bib-version>v2</bib-version><id>69865</id><entry>2025-07-02</entry><title>Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption</title><swanseaauthors><author><sid>fd8e614b01086804c80fbafa6fa6aaf5</sid><ORCID>0000-0002-5069-7921</ORCID><firstname>Zari</firstname><surname>Tehrani</surname><name>Zari Tehrani</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2025-07-02</date><deptcode>EAAS</deptcode><abstract>A copper-based metal–organic framework, nickel ferrite and graphene oxide were prepared as constituents of a new core–shell nanocomposite formed by a layer-by-layer method, then it was applied to absorb Congo Red dye as an organic contaminant. The nanocomposite was studied by XRD, FTIR, EDS, FESEM and VSM methods. Investigating the main factors affecting the adsorption shows that the optimum pH of the dye solution is 7, the best contact time is 60 min with an initial solution concentration of 5 ppm and 0.05 g of adsorbent is the optimum amount. Adaptation of Langmuir, Freundlich, Temkin and Dubinin–Radushkevich adsorption isotherms showed that the dye adsorption process is consistent with two first isotherm models. Regarding the adsorption kinetics and according to the calculations, it was found that the adsorption process follows second-order kinetics. The composite NiFe2O4@HKUST-1/GO demonstrated a maximum adsorption capacity of 25.64 mg g−1 for Congo Red dye removal from aqueous solutions. Monte Carlo simulations were used to simulate the adsorption nature between NiFe2O4 (311) molecules and the HKUST-1 surface, GO molecules and NiFe2O4@HKUST-1, and CR and NiFe2O4@HKUST-1/GO.</abstract><type>Journal Article</type><journal>RSC Advances</journal><volume>15</volume><journalNumber>27</journalNumber><paginationStart>21240</paginationStart><paginationEnd>21256</paginationEnd><publisher>The Royal Society of Chemistry</publisher><placeOfPublication/><isbnPrint/><isbnElectronic/><issnPrint/><issnElectronic>2046-2069</issnElectronic><keywords/><publishedDay>2</publishedDay><publishedMonth>7</publishedMonth><publishedYear>2025</publishedYear><publishedDate>2025-07-02</publishedDate><doi>10.1039/d5ra02381e</doi><url/><notes/><college>COLLEGE NANME</college><department>Engineering and Applied Sciences School</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>EAAS</DepartmentCode><institution>Swansea University</institution><apcterm>Other</apcterm><funders>The authors gratefully acknowledge the financial support of this work from Iran University of Science and Technology, and the joint-financial support from Welsh Government and European Commission under European Regional Development Funds (ERDF) through SêrCymru II Fellowships (project number: 80761-su-100) at Swansea University.</funders><projectreference/><lastEdited>2025-07-02T15:32:40.1371448</lastEdited><Created>2025-07-02T15:04:46.6080403</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Engineering and Applied Sciences - Chemical Engineering</level></path><authors><author><firstname>Edris</firstname><surname>Jamshidi</surname><orcid>0000-0001-6763-4962</orcid><order>1</order></author><author><firstname>Maryam</firstname><surname>Haddadi</surname><order>2</order></author><author><firstname>Faranak</firstname><surname>Manteghi</surname><orcid>0000-0002-2590-5063</orcid><order>3</order></author><author><firstname>Rahime Eshaghi</firstname><surname>Malekshah</surname><order>4</order></author><author><firstname>Zari</firstname><surname>Tehrani</surname><orcid>0000-0002-5069-7921</orcid><order>5</order></author></authors><documents><document><filename>69865__34644__a0618591b5294317afcc9fc891ff704a.pdf</filename><originalFilename>69865.VOR.pdf</originalFilename><uploaded>2025-07-02T15:17:36.4526824</uploaded><type>Output</type><contentLength>3602380</contentLength><contentType>application/pdf</contentType><version>Version of Record</version><cronfaStatus>true</cronfaStatus><documentNotes>© 2025 The Author(s). This Open Access Article is licensed under a
Creative Commons Attribution 3.0 Unported Licence.</documentNotes><copyrightCorrect>true</copyrightCorrect><language>eng</language><licence>http://creativecommons.org/licenses/by/3.0/</licence></document></documents><OutputDurs/></rfc1807> |
| spelling |
2025-07-02T15:32:40.1371448 v2 69865 2025-07-02 Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption fd8e614b01086804c80fbafa6fa6aaf5 0000-0002-5069-7921 Zari Tehrani Zari Tehrani true false 2025-07-02 EAAS A copper-based metal–organic framework, nickel ferrite and graphene oxide were prepared as constituents of a new core–shell nanocomposite formed by a layer-by-layer method, then it was applied to absorb Congo Red dye as an organic contaminant. The nanocomposite was studied by XRD, FTIR, EDS, FESEM and VSM methods. Investigating the main factors affecting the adsorption shows that the optimum pH of the dye solution is 7, the best contact time is 60 min with an initial solution concentration of 5 ppm and 0.05 g of adsorbent is the optimum amount. Adaptation of Langmuir, Freundlich, Temkin and Dubinin–Radushkevich adsorption isotherms showed that the dye adsorption process is consistent with two first isotherm models. Regarding the adsorption kinetics and according to the calculations, it was found that the adsorption process follows second-order kinetics. The composite NiFe2O4@HKUST-1/GO demonstrated a maximum adsorption capacity of 25.64 mg g−1 for Congo Red dye removal from aqueous solutions. Monte Carlo simulations were used to simulate the adsorption nature between NiFe2O4 (311) molecules and the HKUST-1 surface, GO molecules and NiFe2O4@HKUST-1, and CR and NiFe2O4@HKUST-1/GO. Journal Article RSC Advances 15 27 21240 21256 The Royal Society of Chemistry 2046-2069 2 7 2025 2025-07-02 10.1039/d5ra02381e COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University Other The authors gratefully acknowledge the financial support of this work from Iran University of Science and Technology, and the joint-financial support from Welsh Government and European Commission under European Regional Development Funds (ERDF) through SêrCymru II Fellowships (project number: 80761-su-100) at Swansea University. 2025-07-02T15:32:40.1371448 2025-07-02T15:04:46.6080403 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemical Engineering Edris Jamshidi 0000-0001-6763-4962 1 Maryam Haddadi 2 Faranak Manteghi 0000-0002-2590-5063 3 Rahime Eshaghi Malekshah 4 Zari Tehrani 0000-0002-5069-7921 5 69865__34644__a0618591b5294317afcc9fc891ff704a.pdf 69865.VOR.pdf 2025-07-02T15:17:36.4526824 Output 3602380 application/pdf Version of Record true © 2025 The Author(s). This Open Access Article is licensed under a Creative Commons Attribution 3.0 Unported Licence. true eng http://creativecommons.org/licenses/by/3.0/ |
| title |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption |
| spellingShingle |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption Zari Tehrani |
| title_short |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption |
| title_full |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption |
| title_fullStr |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption |
| title_full_unstemmed |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption |
| title_sort |
Experimental and Monte Carlo simulation study on a core–shell NiFe2O4@HKUST-1/graphene oxide nanocomposite for Congo Red adsorption |
| author_id_str_mv |
fd8e614b01086804c80fbafa6fa6aaf5 |
| author_id_fullname_str_mv |
fd8e614b01086804c80fbafa6fa6aaf5_***_Zari Tehrani |
| author |
Zari Tehrani |
| author2 |
Edris Jamshidi Maryam Haddadi Faranak Manteghi Rahime Eshaghi Malekshah Zari Tehrani |
| format |
Journal article |
| container_title |
RSC Advances |
| container_volume |
15 |
| container_issue |
27 |
| container_start_page |
21240 |
| publishDate |
2025 |
| institution |
Swansea University |
| issn |
2046-2069 |
| doi_str_mv |
10.1039/d5ra02381e |
| publisher |
The Royal Society of Chemistry |
| college_str |
Faculty of Science and Engineering |
| hierarchytype |
|
| hierarchy_top_id |
facultyofscienceandengineering |
| hierarchy_top_title |
Faculty of Science and Engineering |
| hierarchy_parent_id |
facultyofscienceandengineering |
| hierarchy_parent_title |
Faculty of Science and Engineering |
| department_str |
School of Engineering and Applied Sciences - Chemical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemical Engineering |
| document_store_str |
1 |
| active_str |
0 |
| description |
A copper-based metal–organic framework, nickel ferrite and graphene oxide were prepared as constituents of a new core–shell nanocomposite formed by a layer-by-layer method, then it was applied to absorb Congo Red dye as an organic contaminant. The nanocomposite was studied by XRD, FTIR, EDS, FESEM and VSM methods. Investigating the main factors affecting the adsorption shows that the optimum pH of the dye solution is 7, the best contact time is 60 min with an initial solution concentration of 5 ppm and 0.05 g of adsorbent is the optimum amount. Adaptation of Langmuir, Freundlich, Temkin and Dubinin–Radushkevich adsorption isotherms showed that the dye adsorption process is consistent with two first isotherm models. Regarding the adsorption kinetics and according to the calculations, it was found that the adsorption process follows second-order kinetics. The composite NiFe2O4@HKUST-1/GO demonstrated a maximum adsorption capacity of 25.64 mg g−1 for Congo Red dye removal from aqueous solutions. Monte Carlo simulations were used to simulate the adsorption nature between NiFe2O4 (311) molecules and the HKUST-1 surface, GO molecules and NiFe2O4@HKUST-1, and CR and NiFe2O4@HKUST-1/GO. |
| published_date |
2025-07-02T05:29:18Z |
| _version_ |
1851097936106094592 |
| score |
11.444473 |