DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ryu, Myungshin | ko |
dc.contributor.author | Kim, Hyoung Gyu | ko |
dc.contributor.author | Kim, Hyun You | ko |
dc.contributor.author | Min, Kyung-Shin | ko |
dc.contributor.author | Kim, Hak Joo | ko |
dc.contributor.author | Lee, Hyuck Mo | ko |
dc.date.accessioned | 2017-08-08T06:05:15Z | - |
dc.date.available | 2017-08-08T06:05:15Z | - |
dc.date.created | 2017-07-17 | - |
dc.date.created | 2017-07-17 | - |
dc.date.created | 2017-07-17 | - |
dc.date.issued | 2017-07 | - |
dc.identifier.citation | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.19, no.25, pp.16498 - 16506 | - |
dc.identifier.issn | 1463-9076 | - |
dc.identifier.uri | http://hdl.handle.net/10203/225079 | - |
dc.description.abstract | To prevent car accidents, it is important to evaluate the thermal stability of tire rubbers, such as natural rubber (NR), butadiene rubber (BR), and styrene-butadiene rubber (SBR). Controlling the glass transition temperature (T-g) is the main factor for obtaining desirable thermal stability. Here, we developed an optimized equation for the prediction of the T-g of the various rubber systems using molecular dynamics (MD) simulations. We modeled a random copolymer system, blended monomers, and calculated the T-g of butadiene isomers in each composition. From these results, we designed the T-g contour of ternary cis-trans-vinyl butadiene and derived an equation of Tg for the ternary system. Moreover, we developed an equation to evaluate the pseudo-ternary T-g of quaternary SBR and plotted it. Our results present a novel way of predicting the T-g of ternary BR and quaternary SBR, which is critical for rational tire design with optimized thermal and mechanical stability. | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.title | Prediction of the glass transition temperature and design of phase diagrams of butadiene rubber and styrene-butadiene rubber via molecular dynamics simulations | - |
dc.type | Article | - |
dc.identifier.wosid | 000404530600022 | - |
dc.identifier.scopusid | 2-s2.0-85024101159 | - |
dc.type.rims | ART | - |
dc.citation.volume | 19 | - |
dc.citation.issue | 25 | - |
dc.citation.beginningpage | 16498 | - |
dc.citation.endingpage | 16506 | - |
dc.citation.publicationname | PHYSICAL CHEMISTRY CHEMICAL PHYSICS | - |
dc.identifier.doi | 10.1039/c7cp00080d | - |
dc.contributor.localauthor | Lee, Hyuck Mo | - |
dc.contributor.nonIdAuthor | Kim, Hyoung Gyu | - |
dc.contributor.nonIdAuthor | Kim, Hyun You | - |
dc.contributor.nonIdAuthor | Min, Kyung-Shin | - |
dc.contributor.nonIdAuthor | Kim, Hak Joo | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | TIRE TREAD COMPOUNDS | - |
dc.subject.keywordPlus | MECHANICAL-PROPERTIES | - |
dc.subject.keywordPlus | CARBON-BLACK | - |
dc.subject.keywordPlus | POLYBUTADIENE RUBBER | - |
dc.subject.keywordPlus | POLYMER BLENDS | - |
dc.subject.keywordPlus | FORCE-FIELD | - |
dc.subject.keywordPlus | BEHAVIOR | - |
dc.subject.keywordPlus | NANOCOMPOSITES | - |
dc.subject.keywordPlus | SILICA | - |
dc.subject.keywordPlus | MORPHOLOGY | - |
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