Mechanism of Sorption Interaction between L-Alanine and Carbon Nanotubes
A complex consisting of a model carbon nanotube and L-alanine located on its outer side surface, inside it, and at its end is simulated by quantum-chemical means using density functional theory, including dispersion corrections. The mechanism of interaction between amino acids and nanotubes is analy...
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| Veröffentlicht in: | Russian Journal of Physical Chemistry A 2019-04, Vol.93 (4), p.710-716 |
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| container_end_page | 716 |
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| container_issue | 4 |
| container_start_page | 710 |
| container_title | Russian Journal of Physical Chemistry A |
| container_volume | 93 |
| creator | Butyrskaya, E. V. Zapryagaev, S. A. Izmailova, E. A. Selemenev, V. F. |
| description | A complex consisting of a model carbon nanotube and L-alanine located on its outer side surface, inside it, and at its end is simulated by quantum-chemical means using density functional theory, including dispersion corrections. The mechanism of interaction between amino acids and nanotubes is analyzed, and the energies of the van der Waals interactions in the sorbent–sorbate are assessed. Adsorption isotherms of L‑alanine on MKN-MWCNT-P5000 multi-walled carbon nanotubes (Canada) from aqueous solution are constructed and explained. |
| doi_str_mv | 10.1134/S0036024419040071 |
| format | Article |
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V. ; Zapryagaev, S. A. ; Izmailova, E. A. ; Selemenev, V. F.</creator><creatorcontrib>Butyrskaya, E. V. ; Zapryagaev, S. A. ; Izmailova, E. A. ; Selemenev, V. F.</creatorcontrib><description>A complex consisting of a model carbon nanotube and L-alanine located on its outer side surface, inside it, and at its end is simulated by quantum-chemical means using density functional theory, including dispersion corrections. The mechanism of interaction between amino acids and nanotubes is analyzed, and the energies of the van der Waals interactions in the sorbent–sorbate are assessed. Adsorption isotherms of L‑alanine on MKN-MWCNT-P5000 multi-walled carbon nanotubes (Canada) from aqueous solution are constructed and explained.</description><identifier>ISSN: 0036-0244</identifier><identifier>EISSN: 1531-863X</identifier><identifier>DOI: 10.1134/S0036024419040071</identifier><language>eng</language><publisher>Moscow: Pleiades Publishing</publisher><subject>Alanine ; Amino acids ; Aqueous solutions ; Carbon ; Chemistry ; Chemistry and Materials Science ; Computer simulation ; Density functional theory ; Multi wall carbon nanotubes ; Organic chemistry ; Physical Chemistry ; Physical Chemistry of Nanoclusters and Nanomaterials ; Quantum chemistry ; Sorbents</subject><ispartof>Russian Journal of Physical Chemistry A, 2019-04, Vol.93 (4), p.710-716</ispartof><rights>Pleiades Publishing, Ltd. 2019</rights><rights>Copyright Springer Nature B.V. 2019</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c316t-846c2e8cd4653eb7dfa79b1b9c131d8ea94d3486221a22ae6537e3c6d6137c293</citedby><cites>FETCH-LOGICAL-c316t-846c2e8cd4653eb7dfa79b1b9c131d8ea94d3486221a22ae6537e3c6d6137c293</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1134/S0036024419040071$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1134/S0036024419040071$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27922,27923,41486,42555,51317</link.rule.ids></links><search><creatorcontrib>Butyrskaya, E. V.</creatorcontrib><creatorcontrib>Zapryagaev, S. A.</creatorcontrib><creatorcontrib>Izmailova, E. A.</creatorcontrib><creatorcontrib>Selemenev, V. F.</creatorcontrib><title>Mechanism of Sorption Interaction between L-Alanine and Carbon Nanotubes</title><title>Russian Journal of Physical Chemistry A</title><addtitle>Russ. J. Phys. Chem</addtitle><description>A complex consisting of a model carbon nanotube and L-alanine located on its outer side surface, inside it, and at its end is simulated by quantum-chemical means using density functional theory, including dispersion corrections. The mechanism of interaction between amino acids and nanotubes is analyzed, and the energies of the van der Waals interactions in the sorbent–sorbate are assessed. Adsorption isotherms of L‑alanine on MKN-MWCNT-P5000 multi-walled carbon nanotubes (Canada) from aqueous solution are constructed and explained.</description><subject>Alanine</subject><subject>Amino acids</subject><subject>Aqueous solutions</subject><subject>Carbon</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Computer simulation</subject><subject>Density functional theory</subject><subject>Multi wall carbon nanotubes</subject><subject>Organic chemistry</subject><subject>Physical Chemistry</subject><subject>Physical Chemistry of Nanoclusters and Nanomaterials</subject><subject>Quantum chemistry</subject><subject>Sorbents</subject><issn>0036-0244</issn><issn>1531-863X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNp1kEFLxDAUhIMoWFd_gLeC52pekk3b41LUXah6WAVvJU1ftctuUpMu4r_f1AoexNMbmG_mwRByCfQagIubNaVcUiYE5FRQmsIRiWDOIckkfz0m0Wgno39KzrzfUCoCKiKyfED9rkznd7Ft47V1_dBZE6_MgE7pb13j8Ilo4jJZbANpMFamiQvl6mA-KmOHfY3-nJy0auvx4ufOyMvd7XOxTMqn-1WxKBPNQQ5JJqRmmOlGyDnHOm1aleY11LkGDk2GKhcNF5lkDBRjCgOVIteykcBTzXI-I1dTb-_sxx79UG3s3pnwsmKMg5AU5EjBRGlnvXfYVr3rdsp9VUCrcbDqz2Ahw6aMD6x5Q_fb_H_oAPvqa1Y</recordid><startdate>20190401</startdate><enddate>20190401</enddate><creator>Butyrskaya, E. V.</creator><creator>Zapryagaev, S. A.</creator><creator>Izmailova, E. A.</creator><creator>Selemenev, V. F.</creator><general>Pleiades Publishing</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20190401</creationdate><title>Mechanism of Sorption Interaction between L-Alanine and Carbon Nanotubes</title><author>Butyrskaya, E. V. ; Zapryagaev, S. A. ; Izmailova, E. A. ; Selemenev, V. F.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c316t-846c2e8cd4653eb7dfa79b1b9c131d8ea94d3486221a22ae6537e3c6d6137c293</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Alanine</topic><topic>Amino acids</topic><topic>Aqueous solutions</topic><topic>Carbon</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Computer simulation</topic><topic>Density functional theory</topic><topic>Multi wall carbon nanotubes</topic><topic>Organic chemistry</topic><topic>Physical Chemistry</topic><topic>Physical Chemistry of Nanoclusters and Nanomaterials</topic><topic>Quantum chemistry</topic><topic>Sorbents</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Butyrskaya, E. V.</creatorcontrib><creatorcontrib>Zapryagaev, S. A.</creatorcontrib><creatorcontrib>Izmailova, E. 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Chem</stitle><date>2019-04-01</date><risdate>2019</risdate><volume>93</volume><issue>4</issue><spage>710</spage><epage>716</epage><pages>710-716</pages><issn>0036-0244</issn><eissn>1531-863X</eissn><abstract>A complex consisting of a model carbon nanotube and L-alanine located on its outer side surface, inside it, and at its end is simulated by quantum-chemical means using density functional theory, including dispersion corrections. The mechanism of interaction between amino acids and nanotubes is analyzed, and the energies of the van der Waals interactions in the sorbent–sorbate are assessed. Adsorption isotherms of L‑alanine on MKN-MWCNT-P5000 multi-walled carbon nanotubes (Canada) from aqueous solution are constructed and explained.</abstract><cop>Moscow</cop><pub>Pleiades Publishing</pub><doi>10.1134/S0036024419040071</doi><tpages>7</tpages></addata></record> |
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| issn | 0036-0244 1531-863X |
| language | eng |
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| source | Springer Online Journals |
| subjects | Alanine Amino acids Aqueous solutions Carbon Chemistry Chemistry and Materials Science Computer simulation Density functional theory Multi wall carbon nanotubes Organic chemistry Physical Chemistry Physical Chemistry of Nanoclusters and Nanomaterials Quantum chemistry Sorbents |
| title | Mechanism of Sorption Interaction between L-Alanine and Carbon Nanotubes |
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