Study on Microscopic Mechanism of Activated Carbon Adsorption of Benzene by Molecular Simulation Technology
In this paper, activated carbon models with different pore size distribution (PSD) and oxidation degree were constructed, and the adsorption processes of benzene on models under 303.15 K were analyzed by molecular simulation technology. The adsorption mechanisms including adsorption isotherms, energ...
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| Veröffentlicht in: | Chemistry letters 2020-12, Vol.49 (12), p.1452-1455 |
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| container_title | Chemistry letters |
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| creator | Li, Shi Yu, Lan Song, Kunli Zhao, Dongfeng |
| description | In this paper, activated carbon models with different pore size distribution (PSD) and oxidation degree were constructed, and the adsorption processes of benzene on models under 303.15 K were analyzed by molecular simulation technology. The adsorption mechanisms including adsorption isotherms, energy changes, PSD changes after benzene adsorption, radial distribution functions (RDFs), and diffusion coefficients were discussed in detail. This can provide guidance for micro-control of activated carbon structure and more reasonable selection in practical applications. |
| doi_str_mv | 10.1246/cl.200510 |
| format | Article |
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The adsorption mechanisms including adsorption isotherms, energy changes, PSD changes after benzene adsorption, radial distribution functions (RDFs), and diffusion coefficients were discussed in detail. This can provide guidance for micro-control of activated carbon structure and more reasonable selection in practical applications.</description><identifier>ISSN: 0366-7022</identifier><identifier>EISSN: 1348-0715</identifier><identifier>DOI: 10.1246/cl.200510</identifier><language>eng</language><publisher>Tokyo: The Chemical Society of Japan</publisher><subject>Activated carbon ; Adsorption ; Benzene ; Distribution functions ; Hydrocarbons ; Oxidation ; Pore size distribution ; Porosity ; Radial distribution</subject><ispartof>Chemistry letters, 2020-12, Vol.49 (12), p.1452-1455</ispartof><rights>The Chemical Society of Japan</rights><rights>Copyright Chemical Society of Japan 2020</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c414t-4bc1ec216fb0b79558b1c63717f46e10bde0c16d078fea9b1b1cb07fd03a1fcf3</citedby><cites>FETCH-LOGICAL-c414t-4bc1ec216fb0b79558b1c63717f46e10bde0c16d078fea9b1b1cb07fd03a1fcf3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Li, Shi</creatorcontrib><creatorcontrib>Yu, Lan</creatorcontrib><creatorcontrib>Song, Kunli</creatorcontrib><creatorcontrib>Zhao, Dongfeng</creatorcontrib><title>Study on Microscopic Mechanism of Activated Carbon Adsorption of Benzene by Molecular Simulation Technology</title><title>Chemistry letters</title><description>In this paper, activated carbon models with different pore size distribution (PSD) and oxidation degree were constructed, and the adsorption processes of benzene on models under 303.15 K were analyzed by molecular simulation technology. The adsorption mechanisms including adsorption isotherms, energy changes, PSD changes after benzene adsorption, radial distribution functions (RDFs), and diffusion coefficients were discussed in detail. This can provide guidance for micro-control of activated carbon structure and more reasonable selection in practical applications.</description><subject>Activated carbon</subject><subject>Adsorption</subject><subject>Benzene</subject><subject>Distribution functions</subject><subject>Hydrocarbons</subject><subject>Oxidation</subject><subject>Pore size distribution</subject><subject>Porosity</subject><subject>Radial distribution</subject><issn>0366-7022</issn><issn>1348-0715</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><recordid>eNplkM1OwzAQhC0EEqVw4A0sceKQsk4cOz2Wij-pFYeWc2Q7NnVJ4mCnSOHpcWklDpxmpfl2VjsIXROYkJSyO1VPUoCcwAkakYwWCXCSn6IRZIwlHNL0HF2EsAWAYpqlI_Sx6nfVgF2Ll1Z5F5TrrMJLrTaitaHBzuCZ6u2X6HWF58LLSM6q4HzX2zhG-16337rVWA546WqtdrXweGWbqL_IOma1rnbvwyU6M6IO-uqoY_T2-LCePyeL16eX-WyRKEpon1CpiFYpYUaC5NM8LyRRLOOEG8o0AVlpUIRVwAujxVSSaEvgpoJMEKNMNkY3h9zOu8-dDn25dTvfxpNlSjnNGSNFEanbA7V_O3htys7bRvihJFDuuyxVXR66jCw7shvdWBWTnLK6H7aiE-1f-v_FH_iIeuc</recordid><startdate>20201205</startdate><enddate>20201205</enddate><creator>Li, Shi</creator><creator>Yu, Lan</creator><creator>Song, Kunli</creator><creator>Zhao, Dongfeng</creator><general>The Chemical Society of Japan</general><general>Chemical Society of Japan</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20201205</creationdate><title>Study on Microscopic Mechanism of Activated Carbon Adsorption of Benzene by Molecular Simulation Technology</title><author>Li, Shi ; Yu, Lan ; Song, Kunli ; Zhao, Dongfeng</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c414t-4bc1ec216fb0b79558b1c63717f46e10bde0c16d078fea9b1b1cb07fd03a1fcf3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Activated carbon</topic><topic>Adsorption</topic><topic>Benzene</topic><topic>Distribution functions</topic><topic>Hydrocarbons</topic><topic>Oxidation</topic><topic>Pore size distribution</topic><topic>Porosity</topic><topic>Radial distribution</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Li, Shi</creatorcontrib><creatorcontrib>Yu, Lan</creatorcontrib><creatorcontrib>Song, Kunli</creatorcontrib><creatorcontrib>Zhao, Dongfeng</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Chemistry letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, Shi</au><au>Yu, Lan</au><au>Song, Kunli</au><au>Zhao, Dongfeng</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Study on Microscopic Mechanism of Activated Carbon Adsorption of Benzene by Molecular Simulation Technology</atitle><jtitle>Chemistry letters</jtitle><date>2020-12-05</date><risdate>2020</risdate><volume>49</volume><issue>12</issue><spage>1452</spage><epage>1455</epage><pages>1452-1455</pages><issn>0366-7022</issn><eissn>1348-0715</eissn><abstract>In this paper, activated carbon models with different pore size distribution (PSD) and oxidation degree were constructed, and the adsorption processes of benzene on models under 303.15 K were analyzed by molecular simulation technology. The adsorption mechanisms including adsorption isotherms, energy changes, PSD changes after benzene adsorption, radial distribution functions (RDFs), and diffusion coefficients were discussed in detail. This can provide guidance for micro-control of activated carbon structure and more reasonable selection in practical applications.</abstract><cop>Tokyo</cop><pub>The Chemical Society of Japan</pub><doi>10.1246/cl.200510</doi><tpages>4</tpages></addata></record> |
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| ispartof | Chemistry letters, 2020-12, Vol.49 (12), p.1452-1455 |
| issn | 0366-7022 1348-0715 |
| language | eng |
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| source | Oxford University Press Journals All Titles (1996-Current) |
| subjects | Activated carbon Adsorption Benzene Distribution functions Hydrocarbons Oxidation Pore size distribution Porosity Radial distribution |
| title | Study on Microscopic Mechanism of Activated Carbon Adsorption of Benzene by Molecular Simulation Technology |
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