A Semi-analytical and Experimental Approach Using Molecular Dynamic Simulation for Thermo-mechanical Properties of Surface Functionalized Epoxy/Polyurethane/MWCNT/ZnMoO4 Nanocomposites
In this research, the effect of ZnMoO 4 nanoparticles (ZM NPs: A) and multi-wall carbon nanotubes (MWCNT: B) on the tensile strength of the epoxy/polyurethane (EP) matrix was investigated using the response surface methodology (RSM). This model was examined through an experimental procedure, and the...
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| Veröffentlicht in: | Fibers and polymers 2021, 22(8), , pp.2306-2315 |
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| creator | Sarafrazi, Marzieh Ghasemi, Ahmad Reza Hamadanian, Masood |
| description | In this research, the effect of ZnMoO
4
nanoparticles (ZM NPs: A) and multi-wall carbon nanotubes (MWCNT: B) on the tensile strength of the epoxy/polyurethane (EP) matrix was investigated using the response surface methodology (RSM). This model was examined through an experimental procedure, and the results illustrated that the RSM was an appropriate tool for optimizing ε, σ
y
, and σ
u
. In addition, due to the importance of the interaction energy (E
int.
) for understanding chemical reactions, the E
int.
of the SWCNT-COOH, ZM NPs and SWCNT-COOH/ZM particles with the EP/PU polymers was assessed using the molecular dynamic (MD) simulation. The results revealed that the E
int.
, values for the EP/PU/ZM, EP/PU/SWCNT-COOH, EP/PU/ZM/SWCNT-COOH nanocomposites were −31.08, −18.18, and −50.33 eV, respectively. Therefore, the E
int.
values between EP/PU and ZM/SWCNT-COOH was obviously higher than that of the EP/PU/CNT and EP/PU/ZM specimens. |
| doi_str_mv | 10.1007/s12221-021-0720-8 |
| format | Article |
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4
nanoparticles (ZM NPs: A) and multi-wall carbon nanotubes (MWCNT: B) on the tensile strength of the epoxy/polyurethane (EP) matrix was investigated using the response surface methodology (RSM). This model was examined through an experimental procedure, and the results illustrated that the RSM was an appropriate tool for optimizing ε, σ
y
, and σ
u
. In addition, due to the importance of the interaction energy (E
int.
) for understanding chemical reactions, the E
int.
of the SWCNT-COOH, ZM NPs and SWCNT-COOH/ZM particles with the EP/PU polymers was assessed using the molecular dynamic (MD) simulation. The results revealed that the E
int.
, values for the EP/PU/ZM, EP/PU/SWCNT-COOH, EP/PU/ZM/SWCNT-COOH nanocomposites were −31.08, −18.18, and −50.33 eV, respectively. Therefore, the E
int.
values between EP/PU and ZM/SWCNT-COOH was obviously higher than that of the EP/PU/CNT and EP/PU/ZM specimens.</description><identifier>ISSN: 1229-9197</identifier><identifier>EISSN: 1875-0052</identifier><identifier>DOI: 10.1007/s12221-021-0720-8</identifier><language>eng</language><publisher>Seoul: The Korean Fiber Society</publisher><subject>Chemical reactions ; Chemistry ; Chemistry and Materials Science ; Materials Science ; Materials Science, Textiles ; Mechanical properties ; Molecular dynamics ; Multi wall carbon nanotubes ; Nanocomposites ; Nanoparticles ; Physical Sciences ; Polymer Science ; Polymer Sciences ; Polyurethane resins ; Response surface methodology ; Science & Technology ; Technology ; Tensile strength ; Thermomechanical properties ; 섬유공학</subject><ispartof>Fibers and Polymers, 2021, 22(8), , pp.2306-2315</ispartof><rights>The Korean Fiber Society for Fibers and Polymers and Springer 2021</rights><rights>The Korean Fiber Society for Fibers and Polymers and Springer 2021.</rights><woscitedreferencessubscribed>true</woscitedreferencessubscribed><woscitedreferencescount>2</woscitedreferencescount><woscitedreferencesoriginalsourcerecordid>wos000652461000007</woscitedreferencesoriginalsourcerecordid><citedby>FETCH-LOGICAL-c350t-173ba833e20a1a55a5f4aee589a59674159496c673b978a6073148dbcbf7a9743</citedby><cites>FETCH-LOGICAL-c350t-173ba833e20a1a55a5f4aee589a59674159496c673b978a6073148dbcbf7a9743</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s12221-021-0720-8$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s12221-021-0720-8$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>315,781,785,27929,27930,39263,41493,42562,51324</link.rule.ids><backlink>$$Uhttps://www.kci.go.kr/kciportal/ci/sereArticleSearch/ciSereArtiView.kci?sereArticleSearchBean.artiId=ART002744617$$DAccess content in National Research Foundation of Korea (NRF)$$Hfree_for_read</backlink></links><search><creatorcontrib>Sarafrazi, Marzieh</creatorcontrib><creatorcontrib>Ghasemi, Ahmad Reza</creatorcontrib><creatorcontrib>Hamadanian, Masood</creatorcontrib><title>A Semi-analytical and Experimental Approach Using Molecular Dynamic Simulation for Thermo-mechanical Properties of Surface Functionalized Epoxy/Polyurethane/MWCNT/ZnMoO4 Nanocomposites</title><title>Fibers and polymers</title><addtitle>Fibers Polym</addtitle><addtitle>FIBER POLYM</addtitle><description>In this research, the effect of ZnMoO
4
nanoparticles (ZM NPs: A) and multi-wall carbon nanotubes (MWCNT: B) on the tensile strength of the epoxy/polyurethane (EP) matrix was investigated using the response surface methodology (RSM). This model was examined through an experimental procedure, and the results illustrated that the RSM was an appropriate tool for optimizing ε, σ
y
, and σ
u
. In addition, due to the importance of the interaction energy (E
int.
) for understanding chemical reactions, the E
int.
of the SWCNT-COOH, ZM NPs and SWCNT-COOH/ZM particles with the EP/PU polymers was assessed using the molecular dynamic (MD) simulation. The results revealed that the E
int.
, values for the EP/PU/ZM, EP/PU/SWCNT-COOH, EP/PU/ZM/SWCNT-COOH nanocomposites were −31.08, −18.18, and −50.33 eV, respectively. Therefore, the E
int.
values between EP/PU and ZM/SWCNT-COOH was obviously higher than that of the EP/PU/CNT and EP/PU/ZM specimens.</description><subject>Chemical reactions</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Materials Science</subject><subject>Materials Science, Textiles</subject><subject>Mechanical properties</subject><subject>Molecular dynamics</subject><subject>Multi wall carbon nanotubes</subject><subject>Nanocomposites</subject><subject>Nanoparticles</subject><subject>Physical Sciences</subject><subject>Polymer Science</subject><subject>Polymer Sciences</subject><subject>Polyurethane resins</subject><subject>Response surface methodology</subject><subject>Science & Technology</subject><subject>Technology</subject><subject>Tensile strength</subject><subject>Thermomechanical properties</subject><subject>섬유공학</subject><issn>1229-9197</issn><issn>1875-0052</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>HGBXW</sourceid><recordid>eNqNkc9u1DAQxiMEEqXwANwscUIorO3EcXJcLS1U6rYVuxUSF2vWney6TexgJ6LhyXg8nA2CExKWRv6j7zfjmS9JXjP6nlEqF4FxzllKp5CcpuWT5ISVUqSUCv40njmv0opV8nnyIoR7SgvGZXaS_FySDbYmBQvN2BsNDQF7R84eO_SmRdvHh2XXeQf6QG6DsXuydg3qoQFPPowWWqPJxrTx3htnSe082R7Qty5tUR_AHlPeeBfz9QYDcTXZDL4GjeR8sHqCoDE_MNbs3OO4uHHNOHjsI4qL9ZfV1Xbx1a7ddU6uwDrt2s4F02N4mTyroQn46vd-mtyen21Xn9LL648Xq-VlqjNB-5TJbAdlliGnwEAIEHUOiKKsQFSFzJmo8qrQRZRVsoSCyozl5d1O72oJlcyz0-TtnNf6Wj1ooxyY47536sGr5efthapKweLUo_bNrI3z-jZg6NW9G3zsLyguCs5jJVZGFZtV2rsQPNaqi6MGPypG1WSmms1UdIpoppqYdzPzHXeuDtqg1fiHo9FOwfMiwnHJqC7_X70y_dG6lRtsH1E-oyHK7R793xb-_btfs8jExQ</recordid><startdate>20210801</startdate><enddate>20210801</enddate><creator>Sarafrazi, Marzieh</creator><creator>Ghasemi, Ahmad Reza</creator><creator>Hamadanian, Masood</creator><general>The Korean Fiber Society</general><general>Korean Fiber Soc</general><general>Springer Nature B.V</general><general>한국섬유공학회</general><scope>BLEPL</scope><scope>DTL</scope><scope>HGBXW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8FD</scope><scope>JG9</scope><scope>ACYCR</scope></search><sort><creationdate>20210801</creationdate><title>A Semi-analytical and Experimental Approach Using Molecular Dynamic Simulation for Thermo-mechanical Properties of Surface Functionalized Epoxy/Polyurethane/MWCNT/ZnMoO4 Nanocomposites</title><author>Sarafrazi, Marzieh ; Ghasemi, Ahmad Reza ; Hamadanian, Masood</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c350t-173ba833e20a1a55a5f4aee589a59674159496c673b978a6073148dbcbf7a9743</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Chemical reactions</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Materials Science</topic><topic>Materials Science, Textiles</topic><topic>Mechanical properties</topic><topic>Molecular dynamics</topic><topic>Multi wall carbon nanotubes</topic><topic>Nanocomposites</topic><topic>Nanoparticles</topic><topic>Physical Sciences</topic><topic>Polymer Science</topic><topic>Polymer Sciences</topic><topic>Polyurethane resins</topic><topic>Response surface methodology</topic><topic>Science & Technology</topic><topic>Technology</topic><topic>Tensile strength</topic><topic>Thermomechanical properties</topic><topic>섬유공학</topic><toplevel>online_resources</toplevel><creatorcontrib>Sarafrazi, Marzieh</creatorcontrib><creatorcontrib>Ghasemi, Ahmad Reza</creatorcontrib><creatorcontrib>Hamadanian, Masood</creatorcontrib><collection>Web of Science Core Collection</collection><collection>Science Citation Index Expanded</collection><collection>Web of Science - Science Citation Index Expanded - 2021</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Korean Citation Index</collection><jtitle>Fibers and polymers</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Sarafrazi, Marzieh</au><au>Ghasemi, Ahmad Reza</au><au>Hamadanian, Masood</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A Semi-analytical and Experimental Approach Using Molecular Dynamic Simulation for Thermo-mechanical Properties of Surface Functionalized Epoxy/Polyurethane/MWCNT/ZnMoO4 Nanocomposites</atitle><jtitle>Fibers and polymers</jtitle><stitle>Fibers Polym</stitle><stitle>FIBER POLYM</stitle><date>2021-08-01</date><risdate>2021</risdate><volume>22</volume><issue>8</issue><spage>2306</spage><epage>2315</epage><pages>2306-2315</pages><issn>1229-9197</issn><eissn>1875-0052</eissn><abstract>In this research, the effect of ZnMoO
4
nanoparticles (ZM NPs: A) and multi-wall carbon nanotubes (MWCNT: B) on the tensile strength of the epoxy/polyurethane (EP) matrix was investigated using the response surface methodology (RSM). This model was examined through an experimental procedure, and the results illustrated that the RSM was an appropriate tool for optimizing ε, σ
y
, and σ
u
. In addition, due to the importance of the interaction energy (E
int.
) for understanding chemical reactions, the E
int.
of the SWCNT-COOH, ZM NPs and SWCNT-COOH/ZM particles with the EP/PU polymers was assessed using the molecular dynamic (MD) simulation. The results revealed that the E
int.
, values for the EP/PU/ZM, EP/PU/SWCNT-COOH, EP/PU/ZM/SWCNT-COOH nanocomposites were −31.08, −18.18, and −50.33 eV, respectively. Therefore, the E
int.
values between EP/PU and ZM/SWCNT-COOH was obviously higher than that of the EP/PU/CNT and EP/PU/ZM specimens.</abstract><cop>Seoul</cop><pub>The Korean Fiber Society</pub><doi>10.1007/s12221-021-0720-8</doi><tpages>10</tpages></addata></record> |
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| ispartof | Fibers and Polymers, 2021, 22(8), , pp.2306-2315 |
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| source | SpringerNature Journals; Web of Science - Science Citation Index Expanded - 2021<img src="https://exlibris-pub.s3.amazonaws.com/fromwos-v2.jpg" /> |
| subjects | Chemical reactions Chemistry Chemistry and Materials Science Materials Science Materials Science, Textiles Mechanical properties Molecular dynamics Multi wall carbon nanotubes Nanocomposites Nanoparticles Physical Sciences Polymer Science Polymer Sciences Polyurethane resins Response surface methodology Science & Technology Technology Tensile strength Thermomechanical properties 섬유공학 |
| title | A Semi-analytical and Experimental Approach Using Molecular Dynamic Simulation for Thermo-mechanical Properties of Surface Functionalized Epoxy/Polyurethane/MWCNT/ZnMoO4 Nanocomposites |
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