Molecular dynamics simulation on the thermodynamic properties of insulating paper cellulose modified by silane coupling agent grafted nano-SiO2
Thermodynamic properties of cellulose insulation paper are vital factors affecting the life of a transformer; in order to obtain cellulose insulation paper with better thermodynamic properties, three types of silane coupling agents—3-aminopropyltriethoxy silane (KH550), 3-glycidoxypropyltrimethoxy s...
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Veröffentlicht in: | AIP advances 2019-12, Vol.9 (12), p.125134-125134-7 |
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description | Thermodynamic properties of cellulose insulation paper are vital factors affecting the life of a transformer; in order to obtain cellulose insulation paper with better thermodynamic properties, three types of silane coupling agents—3-aminopropyltriethoxy silane (KH550), 3-glycidoxypropyltrimethoxy silane (KH560), and 3-methacryloyloxypropyltrimethoxy silane (KH570)—were grafted on the surface of nano-SiO2, and thermodynamic properties of cellulose modified with nano-SiO2 were explored. The molecular dynamics method was used to establish a composite model of nano-SiO2/cellulose. Also, different silane coupling agent grafted nano-SiO2/cellulose models were established to explore the effect of mechanical properties, interaction energy, free volume, and hydrogen bonds on thermodynamic properties. The results showed that KH550 was the best modification of the nano-SiO2/cellulose system among the three grafted silane coupling agents because KH550 grafted on the surface of nano-SiO2 formed more hydrogen bonds in the cellulose system. The interfacial bonding strength between the nano-SiO2 and the cellulose chains can effectively improve the thermal stability of the cellulose insulating paper. |
doi_str_mv | 10.1063/1.5131821 |
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The molecular dynamics method was used to establish a composite model of nano-SiO2/cellulose. Also, different silane coupling agent grafted nano-SiO2/cellulose models were established to explore the effect of mechanical properties, interaction energy, free volume, and hydrogen bonds on thermodynamic properties. The results showed that KH550 was the best modification of the nano-SiO2/cellulose system among the three grafted silane coupling agents because KH550 grafted on the surface of nano-SiO2 formed more hydrogen bonds in the cellulose system. The interfacial bonding strength between the nano-SiO2 and the cellulose chains can effectively improve the thermal stability of the cellulose insulating paper.</description><identifier>ISSN: 2158-3226</identifier><identifier>EISSN: 2158-3226</identifier><identifier>DOI: 10.1063/1.5131821</identifier><identifier>CODEN: AAIDBI</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Bonding strength ; Cellulose ; Computer simulation ; Coupling (molecular) ; Coupling agents ; Grafting ; Hydrogen bonds ; Insulation ; Interfacial bonding ; Mechanical properties ; Molecular dynamics ; Silicon dioxide ; Thermal stability ; Thermodynamic properties</subject><ispartof>AIP advances, 2019-12, Vol.9 (12), p.125134-125134-7</ispartof><rights>Author(s)</rights><rights>2019 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><orcidid>0000-0002-9554-497X ; 0000-0002-5572-2671 ; 0000-0002-1756-8802</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,860,2096,27901,27902</link.rule.ids></links><search><creatorcontrib>Wang, Lihan</creatorcontrib><creatorcontrib>Tang, Chao</creatorcontrib><creatorcontrib>Wang, Xiaobo</creatorcontrib><creatorcontrib>Zheng, Wei</creatorcontrib><title>Molecular dynamics simulation on the thermodynamic properties of insulating paper cellulose modified by silane coupling agent grafted nano-SiO2</title><title>AIP advances</title><description>Thermodynamic properties of cellulose insulation paper are vital factors affecting the life of a transformer; in order to obtain cellulose insulation paper with better thermodynamic properties, three types of silane coupling agents—3-aminopropyltriethoxy silane (KH550), 3-glycidoxypropyltrimethoxy silane (KH560), and 3-methacryloyloxypropyltrimethoxy silane (KH570)—were grafted on the surface of nano-SiO2, and thermodynamic properties of cellulose modified with nano-SiO2 were explored. The molecular dynamics method was used to establish a composite model of nano-SiO2/cellulose. Also, different silane coupling agent grafted nano-SiO2/cellulose models were established to explore the effect of mechanical properties, interaction energy, free volume, and hydrogen bonds on thermodynamic properties. The results showed that KH550 was the best modification of the nano-SiO2/cellulose system among the three grafted silane coupling agents because KH550 grafted on the surface of nano-SiO2 formed more hydrogen bonds in the cellulose system. The interfacial bonding strength between the nano-SiO2 and the cellulose chains can effectively improve the thermal stability of the cellulose insulating paper.</description><subject>Bonding strength</subject><subject>Cellulose</subject><subject>Computer simulation</subject><subject>Coupling (molecular)</subject><subject>Coupling agents</subject><subject>Grafting</subject><subject>Hydrogen bonds</subject><subject>Insulation</subject><subject>Interfacial bonding</subject><subject>Mechanical properties</subject><subject>Molecular dynamics</subject><subject>Silicon dioxide</subject><subject>Thermal stability</subject><subject>Thermodynamic properties</subject><issn>2158-3226</issn><issn>2158-3226</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><sourceid>DOA</sourceid><recordid>eNp9kdtqGzEQhpfSQkzii7yBIHeFdVdH71wG0zSBBF-kvRayDq6MLG2l3YCfoq9c-UDbqwiJEcP3_yPNNM0t7ha4E_QLXnBMcU_wh2ZGMO9bSoj4-N_9qpmXsuvqYoC7ns2a3y8pWD0FlZE5RLX3uqDi9zUx-hRR3eNPezx5ny4AGnIabB69LSg55GM50XGLBlXzSNsQppCKRVXinbcGbQ7VNKhokU7TEI6s2to4om1WbqxAVDG1r35NbppPToVi55d43fx4-Pp99dg-r789re6fW0M5G1sO2FhY9qCcZgYc2zgsrAPQtgcBS6Exd4pbQgkmzDgOBBylGEzHiKZAr5uns69JaieH7PcqH2RSXp4SKW-lql_UwUoqqNFMcKKdqGIBHV0ePYyDasZY9bo7e9XG_JpsGeUuTTnW58taH6BnnPaV-nymivbjqbt_y76lLLG8zE4Oxr0H404eh_1PQP8A8BictA</recordid><startdate>20191201</startdate><enddate>20191201</enddate><creator>Wang, Lihan</creator><creator>Tang, Chao</creator><creator>Wang, Xiaobo</creator><creator>Zheng, Wei</creator><general>American Institute of Physics</general><general>AIP Publishing LLC</general><scope>AJDQP</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>DOA</scope><orcidid>https://orcid.org/0000-0002-9554-497X</orcidid><orcidid>https://orcid.org/0000-0002-5572-2671</orcidid><orcidid>https://orcid.org/0000-0002-1756-8802</orcidid></search><sort><creationdate>20191201</creationdate><title>Molecular dynamics simulation on the thermodynamic properties of insulating paper cellulose modified by silane coupling agent grafted nano-SiO2</title><author>Wang, Lihan ; Tang, Chao ; Wang, Xiaobo ; Zheng, Wei</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-d354t-591de9789afc4d9f4bf16ef99ce896976c15fa5e232124df5929f3319d042c393</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Bonding strength</topic><topic>Cellulose</topic><topic>Computer simulation</topic><topic>Coupling (molecular)</topic><topic>Coupling agents</topic><topic>Grafting</topic><topic>Hydrogen bonds</topic><topic>Insulation</topic><topic>Interfacial bonding</topic><topic>Mechanical properties</topic><topic>Molecular dynamics</topic><topic>Silicon dioxide</topic><topic>Thermal stability</topic><topic>Thermodynamic properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Lihan</creatorcontrib><creatorcontrib>Tang, Chao</creatorcontrib><creatorcontrib>Wang, Xiaobo</creatorcontrib><creatorcontrib>Zheng, Wei</creatorcontrib><collection>AIP Open Access Journals</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>DOAJ Directory of Open Access Journals</collection><jtitle>AIP advances</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Lihan</au><au>Tang, Chao</au><au>Wang, Xiaobo</au><au>Zheng, Wei</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Molecular dynamics simulation on the thermodynamic properties of insulating paper cellulose modified by silane coupling agent grafted nano-SiO2</atitle><jtitle>AIP advances</jtitle><date>2019-12-01</date><risdate>2019</risdate><volume>9</volume><issue>12</issue><spage>125134</spage><epage>125134-7</epage><pages>125134-125134-7</pages><issn>2158-3226</issn><eissn>2158-3226</eissn><coden>AAIDBI</coden><abstract>Thermodynamic properties of cellulose insulation paper are vital factors affecting the life of a transformer; in order to obtain cellulose insulation paper with better thermodynamic properties, three types of silane coupling agents—3-aminopropyltriethoxy silane (KH550), 3-glycidoxypropyltrimethoxy silane (KH560), and 3-methacryloyloxypropyltrimethoxy silane (KH570)—were grafted on the surface of nano-SiO2, and thermodynamic properties of cellulose modified with nano-SiO2 were explored. The molecular dynamics method was used to establish a composite model of nano-SiO2/cellulose. Also, different silane coupling agent grafted nano-SiO2/cellulose models were established to explore the effect of mechanical properties, interaction energy, free volume, and hydrogen bonds on thermodynamic properties. The results showed that KH550 was the best modification of the nano-SiO2/cellulose system among the three grafted silane coupling agents because KH550 grafted on the surface of nano-SiO2 formed more hydrogen bonds in the cellulose system. The interfacial bonding strength between the nano-SiO2 and the cellulose chains can effectively improve the thermal stability of the cellulose insulating paper.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.5131821</doi><tpages>7</tpages><orcidid>https://orcid.org/0000-0002-9554-497X</orcidid><orcidid>https://orcid.org/0000-0002-5572-2671</orcidid><orcidid>https://orcid.org/0000-0002-1756-8802</orcidid><oa>free_for_read</oa></addata></record> |
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subjects | Bonding strength Cellulose Computer simulation Coupling (molecular) Coupling agents Grafting Hydrogen bonds Insulation Interfacial bonding Mechanical properties Molecular dynamics Silicon dioxide Thermal stability Thermodynamic properties |
title | Molecular dynamics simulation on the thermodynamic properties of insulating paper cellulose modified by silane coupling agent grafted nano-SiO2 |
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