Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution
The corrosion inhibition performance of N-phenylthiourea for mild steel in solutions of 1.0 M hydrochloric and 3.5% wt. sodium chloride was investigated using tandem potentiodynamic polarization curves, scanning electron microscope analysis and quantum chemical calculations. The inhibition efficienc...
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Veröffentlicht in: | Journal of molecular modeling 2019-07, Vol.25 (7), p.204-15, Article 204 |
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description | The corrosion inhibition performance of N-phenylthiourea for mild steel in solutions of 1.0 M hydrochloric and 3.5% wt. sodium chloride was investigated using tandem potentiodynamic polarization curves, scanning electron microscope analysis and quantum chemical calculations. The inhibition efficiency values of N-phenylthiourea in acidic solution and in salt solution were 94.95% and 55.70%, respectively. The results show that the corrosion inhibitor ability of N-phenylthiourea was better than that of urotropine under the same conditions. The adsorption of N-phenylthiourea on the mild steel electrode surface obeys the Langmuir adsorption isotherm in acidic solution and modified Langmuir adsorption isotherm in salt solution. The results of quantum chemical calculations and molecular dynamics simulations were found to be in accord with experimental data.
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Corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution Figure A contains poor quality and small text inside the artwork. Please do not re-use the file that we have rejected or attempt to increase its resolution and re-save. It is originally poor, therefore, increasing the resolution will not solve the quality problem. We suggest that you provide us the original format. We prefer replacement figures containing vector/editable objects rather than embedded images. Preferred file formats are eps, ai, tiff and pdf.Figure A now has been prepared. The font size of text is increased except for the SEM image. |
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Graphical abstract
Corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution Figure A contains poor quality and small text inside the artwork. Please do not re-use the file that we have rejected or attempt to increase its resolution and re-save. It is originally poor, therefore, increasing the resolution will not solve the quality problem. We suggest that you provide us the original format. We prefer replacement figures containing vector/editable objects rather than embedded images. Preferred file formats are eps, ai, tiff and pdf.Figure A now has been prepared. The font size of text is increased except for the SEM image.</description><identifier>ISSN: 1610-2940</identifier><identifier>EISSN: 0948-5023</identifier><identifier>DOI: 10.1007/s00894-019-4084-6</identifier><identifier>PMID: 31250118</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer Berlin Heidelberg</publisher><subject>Adsorption ; Characterization and Evaluation of Materials ; Chemistry ; Chemistry and Materials Science ; Computer Appl. in Life Sciences ; Computer Applications in Chemistry ; Corrosion ; Corrosion inhibitors ; Corrosion tests ; Hydrochloric acid ; Isotherms ; Low carbon steels ; Mathematical analysis ; Molecular dynamics ; Molecular Medicine ; Organic chemistry ; Original Paper ; Phenylthiourea ; Quantum chemistry ; Saline solutions ; Sodium chloride ; Theoretical and Computational Chemistry</subject><ispartof>Journal of molecular modeling, 2019-07, Vol.25 (7), p.204-15, Article 204</ispartof><rights>Springer-Verlag GmbH Germany, part of Springer Nature 2019</rights><rights>Copyright Springer Nature B.V. 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c372t-75690c8cb5db4204f40bbbb5511f58d64e305c5b9222b1a8157d61ca26083bd73</citedby><cites>FETCH-LOGICAL-c372t-75690c8cb5db4204f40bbbb5511f58d64e305c5b9222b1a8157d61ca26083bd73</cites><orcidid>0000-0002-7257-544X</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s00894-019-4084-6$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s00894-019-4084-6$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/31250118$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Huong, Dinh Quy</creatorcontrib><creatorcontrib>Duong, Tran</creatorcontrib><creatorcontrib>Nam, Pham Cam</creatorcontrib><title>Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution</title><title>Journal of molecular modeling</title><addtitle>J Mol Model</addtitle><addtitle>J Mol Model</addtitle><description>The corrosion inhibition performance of N-phenylthiourea for mild steel in solutions of 1.0 M hydrochloric and 3.5% wt. sodium chloride was investigated using tandem potentiodynamic polarization curves, scanning electron microscope analysis and quantum chemical calculations. The inhibition efficiency values of N-phenylthiourea in acidic solution and in salt solution were 94.95% and 55.70%, respectively. The results show that the corrosion inhibitor ability of N-phenylthiourea was better than that of urotropine under the same conditions. The adsorption of N-phenylthiourea on the mild steel electrode surface obeys the Langmuir adsorption isotherm in acidic solution and modified Langmuir adsorption isotherm in salt solution. The results of quantum chemical calculations and molecular dynamics simulations were found to be in accord with experimental data.
Graphical abstract
Corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution Figure A contains poor quality and small text inside the artwork. Please do not re-use the file that we have rejected or attempt to increase its resolution and re-save. It is originally poor, therefore, increasing the resolution will not solve the quality problem. We suggest that you provide us the original format. We prefer replacement figures containing vector/editable objects rather than embedded images. Preferred file formats are eps, ai, tiff and pdf.Figure A now has been prepared. The font size of text is increased except for the SEM image.</description><subject>Adsorption</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Computer Appl. in Life Sciences</subject><subject>Computer Applications in Chemistry</subject><subject>Corrosion</subject><subject>Corrosion inhibitors</subject><subject>Corrosion tests</subject><subject>Hydrochloric acid</subject><subject>Isotherms</subject><subject>Low carbon steels</subject><subject>Mathematical analysis</subject><subject>Molecular dynamics</subject><subject>Molecular Medicine</subject><subject>Organic chemistry</subject><subject>Original Paper</subject><subject>Phenylthiourea</subject><subject>Quantum chemistry</subject><subject>Saline solutions</subject><subject>Sodium chloride</subject><subject>Theoretical and Computational Chemistry</subject><issn>1610-2940</issn><issn>0948-5023</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp1kU9vFiEQxomxad-0_QC9GBIvXtCBhf1zNE2rJo1e9ExYYF0adnmF3cT3s_hlnXWrJiZygWF-zwzMQ8gNh9ccoHlTANpOMuAdk9BKVj8jB-hkyxSI6jk58JoDE52EC3JdyiMAcKFqJcQ5uajwCJy3B_Lj7vvR5zD5eTGRmtnRZfQp-yVYjMuyuhNNA7Up51RCmmmYx9CHZTuicEh5MrP1G_ORHUc_n-IyhrRmbygm6RSiwzLeR1TS8eRysmNMOVhqbHC_OpbkwjrR_d55jOO6NbgiZ4OJxV8_7Zfky_3d59v37OHTuw-3bx-YrRqxsEbVHdjW9sr1UoAcJPS4lOJ8UK2rpa9AWdV3Qoiem5arxtXcGlFDW_WuqS7Jq73uMadvqy-LnkKxPkYz-7QWLXBYtZCyUYi-_Ad9xL_O-DqkZAddJXmNFN8pi0Mr2Q_6iCM2-aQ56M08vZun0Ty9mac3zYunyms_efdH8dsqBMQOFEzNX33-2_r_VX8C18Wm_A</recordid><startdate>20190701</startdate><enddate>20190701</enddate><creator>Huong, Dinh Quy</creator><creator>Duong, Tran</creator><creator>Nam, Pham Cam</creator><general>Springer Berlin Heidelberg</general><general>Springer Nature B.V</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope><orcidid>https://orcid.org/0000-0002-7257-544X</orcidid></search><sort><creationdate>20190701</creationdate><title>Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution</title><author>Huong, Dinh Quy ; Duong, Tran ; Nam, Pham Cam</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c372t-75690c8cb5db4204f40bbbb5511f58d64e305c5b9222b1a8157d61ca26083bd73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Adsorption</topic><topic>Characterization and Evaluation of Materials</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Computer Appl. in Life Sciences</topic><topic>Computer Applications in Chemistry</topic><topic>Corrosion</topic><topic>Corrosion inhibitors</topic><topic>Corrosion tests</topic><topic>Hydrochloric acid</topic><topic>Isotherms</topic><topic>Low carbon steels</topic><topic>Mathematical analysis</topic><topic>Molecular dynamics</topic><topic>Molecular Medicine</topic><topic>Organic chemistry</topic><topic>Original Paper</topic><topic>Phenylthiourea</topic><topic>Quantum chemistry</topic><topic>Saline solutions</topic><topic>Sodium chloride</topic><topic>Theoretical and Computational Chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Huong, Dinh Quy</creatorcontrib><creatorcontrib>Duong, Tran</creatorcontrib><creatorcontrib>Nam, Pham Cam</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Journal of molecular modeling</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Huong, Dinh Quy</au><au>Duong, Tran</au><au>Nam, Pham Cam</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution</atitle><jtitle>Journal of molecular modeling</jtitle><stitle>J Mol Model</stitle><addtitle>J Mol Model</addtitle><date>2019-07-01</date><risdate>2019</risdate><volume>25</volume><issue>7</issue><spage>204</spage><epage>15</epage><pages>204-15</pages><artnum>204</artnum><issn>1610-2940</issn><eissn>0948-5023</eissn><abstract>The corrosion inhibition performance of N-phenylthiourea for mild steel in solutions of 1.0 M hydrochloric and 3.5% wt. sodium chloride was investigated using tandem potentiodynamic polarization curves, scanning electron microscope analysis and quantum chemical calculations. The inhibition efficiency values of N-phenylthiourea in acidic solution and in salt solution were 94.95% and 55.70%, respectively. The results show that the corrosion inhibitor ability of N-phenylthiourea was better than that of urotropine under the same conditions. The adsorption of N-phenylthiourea on the mild steel electrode surface obeys the Langmuir adsorption isotherm in acidic solution and modified Langmuir adsorption isotherm in salt solution. The results of quantum chemical calculations and molecular dynamics simulations were found to be in accord with experimental data.
Graphical abstract
Corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution Figure A contains poor quality and small text inside the artwork. Please do not re-use the file that we have rejected or attempt to increase its resolution and re-save. It is originally poor, therefore, increasing the resolution will not solve the quality problem. We suggest that you provide us the original format. We prefer replacement figures containing vector/editable objects rather than embedded images. Preferred file formats are eps, ai, tiff and pdf.Figure A now has been prepared. The font size of text is increased except for the SEM image.</abstract><cop>Berlin/Heidelberg</cop><pub>Springer Berlin Heidelberg</pub><pmid>31250118</pmid><doi>10.1007/s00894-019-4084-6</doi><tpages>15</tpages><orcidid>https://orcid.org/0000-0002-7257-544X</orcidid></addata></record> |
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subjects | Adsorption Characterization and Evaluation of Materials Chemistry Chemistry and Materials Science Computer Appl. in Life Sciences Computer Applications in Chemistry Corrosion Corrosion inhibitors Corrosion tests Hydrochloric acid Isotherms Low carbon steels Mathematical analysis Molecular dynamics Molecular Medicine Organic chemistry Original Paper Phenylthiourea Quantum chemistry Saline solutions Sodium chloride Theoretical and Computational Chemistry |
title | Experimental and theoretical study of corrosion inhibition performance of N-phenylthiourea for mild steel in hydrochloric acid and sodium chloride solution |
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