Experimental and computational investigations on the anti-corrosive and adsorption behavior of 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines on C40E steel surface in acidic medium
[Display omitted] Two new 7-N,N’-dialkylaminomethyl-8-Hydroxyquinolines, namely 7-N,N’-dipropylaminomethyl-8-Hydroxyquinoline (DPQ) and 7-N,N’-dimethylaminomethyl-8-Hydroxyquinoline (DMQ), were synthesized and characterized using 1H/13C NMR and Elemental analysis methods. Corrosion inhibition effect...
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Veröffentlicht in: | Journal of colloid and interface science 2020-09, Vol.576, p.330-344 |
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creator | El Faydy, Mohamed Benhiba, Fouad About, Hafida Kerroum, Younes Guenbour, Abdellah Lakhrissi, Brahim Warad, Ismail Verma, Chandrabhan Sherif, El-Sayed M. Ebenso, Eno E. Zarrouk, Abdelkader |
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Two new 7-N,N’-dialkylaminomethyl-8-Hydroxyquinolines, namely 7-N,N’-dipropylaminomethyl-8-Hydroxyquinoline (DPQ) and 7-N,N’-dimethylaminomethyl-8-Hydroxyquinoline (DMQ), were synthesized and characterized using 1H/13C NMR and Elemental analysis methods. Corrosion inhibition effect of DMP and DPQ for C40E steel in 1 M HCl was evaluated at different concentrations (10−3 to 10−6M) and temperatures (298 to 328 K) using several experimental and computational approaches. Weight loss and electrochemical studies showed that protection efficiencies (ηmax) of DPQ and DMQ increase with increase in concentrations. The DPQ and DMQ showed maximum efficiencies of 96.1% and 94.4%, respectivelyat 10−3 M. Polarization measurements showed that DMQ and DPQ act as mixed type corrosion inhibitors. Adsorption of DPQ and DMQ on C40E steel in 1 M HCl obeyed the Langmuir adsorption isotherm. Variation in surface morphology of corroded metallic surface with and without DMQ and DPQ was demonstrated using scanning electron microscopy. Molecular dynamics (MD) simulations studies showed that DPQ and DMQ acquire the flat or horizontal orientation over the C40E steel. DFT analyses revealed that both DPQ and DMQ interact with the C40E steelusing electron-sharing(donor-acceptor)mechanism. Computational analyses conducted using DFT and MD simulations well corroborate the experimental results. |
doi_str_mv | 10.1016/j.jcis.2020.05.010 |
format | Article |
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Two new 7-N,N’-dialkylaminomethyl-8-Hydroxyquinolines, namely 7-N,N’-dipropylaminomethyl-8-Hydroxyquinoline (DPQ) and 7-N,N’-dimethylaminomethyl-8-Hydroxyquinoline (DMQ), were synthesized and characterized using 1H/13C NMR and Elemental analysis methods. Corrosion inhibition effect of DMP and DPQ for C40E steel in 1 M HCl was evaluated at different concentrations (10−3 to 10−6M) and temperatures (298 to 328 K) using several experimental and computational approaches. Weight loss and electrochemical studies showed that protection efficiencies (ηmax) of DPQ and DMQ increase with increase in concentrations. The DPQ and DMQ showed maximum efficiencies of 96.1% and 94.4%, respectivelyat 10−3 M. Polarization measurements showed that DMQ and DPQ act as mixed type corrosion inhibitors. Adsorption of DPQ and DMQ on C40E steel in 1 M HCl obeyed the Langmuir adsorption isotherm. Variation in surface morphology of corroded metallic surface with and without DMQ and DPQ was demonstrated using scanning electron microscopy. Molecular dynamics (MD) simulations studies showed that DPQ and DMQ acquire the flat or horizontal orientation over the C40E steel. DFT analyses revealed that both DPQ and DMQ interact with the C40E steelusing electron-sharing(donor-acceptor)mechanism. Computational analyses conducted using DFT and MD simulations well corroborate the experimental results.</description><identifier>ISSN: 0021-9797</identifier><identifier>EISSN: 1095-7103</identifier><identifier>DOI: 10.1016/j.jcis.2020.05.010</identifier><identifier>PMID: 32460098</identifier><language>eng</language><publisher>United States: Elsevier Inc</publisher><subject>7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines ; C40E steel ; DFT ; Protection efficiency ; UV-visible spectrometry</subject><ispartof>Journal of colloid and interface science, 2020-09, Vol.576, p.330-344</ispartof><rights>2020 Elsevier Inc.</rights><rights>Copyright © 2020 Elsevier Inc. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c356t-db7474f4eadfed2013a437458ed8f1a4565fc4e383f4289092b14f8b3b71259a3</citedby><cites>FETCH-LOGICAL-c356t-db7474f4eadfed2013a437458ed8f1a4565fc4e383f4289092b14f8b3b71259a3</cites><orcidid>0000-0002-0411-9258 ; 0000-0001-9050-7646 ; 0000-0001-8853-8961 ; 0000-0001-9249-7242</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.jcis.2020.05.010$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/32460098$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>El Faydy, Mohamed</creatorcontrib><creatorcontrib>Benhiba, Fouad</creatorcontrib><creatorcontrib>About, Hafida</creatorcontrib><creatorcontrib>Kerroum, Younes</creatorcontrib><creatorcontrib>Guenbour, Abdellah</creatorcontrib><creatorcontrib>Lakhrissi, Brahim</creatorcontrib><creatorcontrib>Warad, Ismail</creatorcontrib><creatorcontrib>Verma, Chandrabhan</creatorcontrib><creatorcontrib>Sherif, El-Sayed M.</creatorcontrib><creatorcontrib>Ebenso, Eno E.</creatorcontrib><creatorcontrib>Zarrouk, Abdelkader</creatorcontrib><title>Experimental and computational investigations on the anti-corrosive and adsorption behavior of 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines on C40E steel surface in acidic medium</title><title>Journal of colloid and interface science</title><addtitle>J Colloid Interface Sci</addtitle><description>[Display omitted]
Two new 7-N,N’-dialkylaminomethyl-8-Hydroxyquinolines, namely 7-N,N’-dipropylaminomethyl-8-Hydroxyquinoline (DPQ) and 7-N,N’-dimethylaminomethyl-8-Hydroxyquinoline (DMQ), were synthesized and characterized using 1H/13C NMR and Elemental analysis methods. Corrosion inhibition effect of DMP and DPQ for C40E steel in 1 M HCl was evaluated at different concentrations (10−3 to 10−6M) and temperatures (298 to 328 K) using several experimental and computational approaches. Weight loss and electrochemical studies showed that protection efficiencies (ηmax) of DPQ and DMQ increase with increase in concentrations. The DPQ and DMQ showed maximum efficiencies of 96.1% and 94.4%, respectivelyat 10−3 M. Polarization measurements showed that DMQ and DPQ act as mixed type corrosion inhibitors. Adsorption of DPQ and DMQ on C40E steel in 1 M HCl obeyed the Langmuir adsorption isotherm. Variation in surface morphology of corroded metallic surface with and without DMQ and DPQ was demonstrated using scanning electron microscopy. Molecular dynamics (MD) simulations studies showed that DPQ and DMQ acquire the flat or horizontal orientation over the C40E steel. DFT analyses revealed that both DPQ and DMQ interact with the C40E steelusing electron-sharing(donor-acceptor)mechanism. Computational analyses conducted using DFT and MD simulations well corroborate the experimental results.</description><subject>7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines</subject><subject>C40E steel</subject><subject>DFT</subject><subject>Protection efficiency</subject><subject>UV-visible spectrometry</subject><issn>0021-9797</issn><issn>1095-7103</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNp9kU2O1DAQhSMEYpqBC7BAXrLAoZzY-ZHYoFbDII2GDawtxy7TbpK4x05akx3X4B5zojkJ7u6BJSurSt97cr2XZa8Z5AxY9X6X77SLeQEF5CByYPAkWzFoBa0ZlE-zFUDBaFu39UX2IsYdAGNCtM-zi7LgFUDbrLL7zd0egxtwnFRP1GiI9sN-ntTk_Jg2bjxgnNyP0xyJH8m0xcRNjmofgo_ugCeZMtGH_ZEiHW7VwflAvCU1vXl38_DrNzVO9T8XNbjRDzhtl5429Goxwd8tt3Na9m7Ek_-aw4bECbEncQ5WaUyfIEo74zQZ0Lh5eJk9s6qP-Orxvcy-f9p8W1_R66-fv6w_XlNdimqipqt5zS1HZSyaAlipeFlz0aBpLFNcVMJqjmVTWl40LbRFx7hturKrWSFaVV5mb8----Bv55SDHFzU2PdqRD9HWXCoRVO1wBNanFGdMokBrdynVFVYJAN5bEvu5LEteWxLgpCprSR68-g_d-myf5K_9STgwxnAdOXBYZBROxx1SiGgnqTx7n_-fwCQtKrm</recordid><startdate>20200915</startdate><enddate>20200915</enddate><creator>El Faydy, Mohamed</creator><creator>Benhiba, Fouad</creator><creator>About, Hafida</creator><creator>Kerroum, Younes</creator><creator>Guenbour, Abdellah</creator><creator>Lakhrissi, Brahim</creator><creator>Warad, Ismail</creator><creator>Verma, Chandrabhan</creator><creator>Sherif, El-Sayed M.</creator><creator>Ebenso, Eno E.</creator><creator>Zarrouk, Abdelkader</creator><general>Elsevier Inc</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-0411-9258</orcidid><orcidid>https://orcid.org/0000-0001-9050-7646</orcidid><orcidid>https://orcid.org/0000-0001-8853-8961</orcidid><orcidid>https://orcid.org/0000-0001-9249-7242</orcidid></search><sort><creationdate>20200915</creationdate><title>Experimental and computational investigations on the anti-corrosive and adsorption behavior of 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines on C40E steel surface in acidic medium</title><author>El Faydy, Mohamed ; Benhiba, Fouad ; About, Hafida ; Kerroum, Younes ; Guenbour, Abdellah ; Lakhrissi, Brahim ; Warad, Ismail ; Verma, Chandrabhan ; Sherif, El-Sayed M. ; Ebenso, Eno E. ; Zarrouk, Abdelkader</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c356t-db7474f4eadfed2013a437458ed8f1a4565fc4e383f4289092b14f8b3b71259a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines</topic><topic>C40E steel</topic><topic>DFT</topic><topic>Protection efficiency</topic><topic>UV-visible spectrometry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>El Faydy, Mohamed</creatorcontrib><creatorcontrib>Benhiba, Fouad</creatorcontrib><creatorcontrib>About, Hafida</creatorcontrib><creatorcontrib>Kerroum, Younes</creatorcontrib><creatorcontrib>Guenbour, Abdellah</creatorcontrib><creatorcontrib>Lakhrissi, Brahim</creatorcontrib><creatorcontrib>Warad, Ismail</creatorcontrib><creatorcontrib>Verma, Chandrabhan</creatorcontrib><creatorcontrib>Sherif, El-Sayed M.</creatorcontrib><creatorcontrib>Ebenso, Eno E.</creatorcontrib><creatorcontrib>Zarrouk, Abdelkader</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of colloid and interface science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>El Faydy, Mohamed</au><au>Benhiba, Fouad</au><au>About, Hafida</au><au>Kerroum, Younes</au><au>Guenbour, Abdellah</au><au>Lakhrissi, Brahim</au><au>Warad, Ismail</au><au>Verma, Chandrabhan</au><au>Sherif, El-Sayed M.</au><au>Ebenso, Eno E.</au><au>Zarrouk, Abdelkader</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Experimental and computational investigations on the anti-corrosive and adsorption behavior of 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines on C40E steel surface in acidic medium</atitle><jtitle>Journal of colloid and interface science</jtitle><addtitle>J Colloid Interface Sci</addtitle><date>2020-09-15</date><risdate>2020</risdate><volume>576</volume><spage>330</spage><epage>344</epage><pages>330-344</pages><issn>0021-9797</issn><eissn>1095-7103</eissn><abstract>[Display omitted]
Two new 7-N,N’-dialkylaminomethyl-8-Hydroxyquinolines, namely 7-N,N’-dipropylaminomethyl-8-Hydroxyquinoline (DPQ) and 7-N,N’-dimethylaminomethyl-8-Hydroxyquinoline (DMQ), were synthesized and characterized using 1H/13C NMR and Elemental analysis methods. Corrosion inhibition effect of DMP and DPQ for C40E steel in 1 M HCl was evaluated at different concentrations (10−3 to 10−6M) and temperatures (298 to 328 K) using several experimental and computational approaches. Weight loss and electrochemical studies showed that protection efficiencies (ηmax) of DPQ and DMQ increase with increase in concentrations. The DPQ and DMQ showed maximum efficiencies of 96.1% and 94.4%, respectivelyat 10−3 M. Polarization measurements showed that DMQ and DPQ act as mixed type corrosion inhibitors. Adsorption of DPQ and DMQ on C40E steel in 1 M HCl obeyed the Langmuir adsorption isotherm. Variation in surface morphology of corroded metallic surface with and without DMQ and DPQ was demonstrated using scanning electron microscopy. Molecular dynamics (MD) simulations studies showed that DPQ and DMQ acquire the flat or horizontal orientation over the C40E steel. DFT analyses revealed that both DPQ and DMQ interact with the C40E steelusing electron-sharing(donor-acceptor)mechanism. Computational analyses conducted using DFT and MD simulations well corroborate the experimental results.</abstract><cop>United States</cop><pub>Elsevier Inc</pub><pmid>32460098</pmid><doi>10.1016/j.jcis.2020.05.010</doi><tpages>15</tpages><orcidid>https://orcid.org/0000-0002-0411-9258</orcidid><orcidid>https://orcid.org/0000-0001-9050-7646</orcidid><orcidid>https://orcid.org/0000-0001-8853-8961</orcidid><orcidid>https://orcid.org/0000-0001-9249-7242</orcidid></addata></record> |
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subjects | 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines C40E steel DFT Protection efficiency UV-visible spectrometry |
title | Experimental and computational investigations on the anti-corrosive and adsorption behavior of 7-N,N’-dialkyaminomethyl-8-Hydroxyquinolines on C40E steel surface in acidic medium |
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