dc.citation.conferencePlace |
KO |
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dc.citation.conferencePlace |
부산 |
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dc.citation.number |
1 |
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dc.citation.title |
2015 춘계 총회 및 학술대회 |
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dc.citation.volume |
19 |
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dc.contributor.author |
Min, Sa Hoon |
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dc.contributor.author |
Kim, Byeong-Su |
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dc.date.accessioned |
2023-12-19T22:37:11Z |
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dc.date.available |
2023-12-19T22:37:11Z |
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dc.date.created |
2016-01-05 |
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dc.date.issued |
2015-04-30 |
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dc.description.abstract |
Poly(2-dimethylaminoethyl methacrylate) (PDMAEMA) is a stimuli-responsive polymer whose phase transition in solution is influenced by the temperature and the pH of solution. In this presentation, we report on our recent results of the all-atomistic molecular dynamics simulation for the coil–to–globule transition of PDMAEMA. In the structural analysis, a single chain of PDMAEMA shows the coil-to-globule transition in aqueous solution from below LCST to above LCST. The hydrogen bond and local dynamics of water molecules near the PDMAEMA chain provides atomic-level insights into the role of each functional group in PDMAEMA for the coil-to-globule transition. |
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dc.identifier.bibliographicCitation |
2015 춘계 총회 및 학술대회, v.19, no.1 |
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dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/42098 |
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dc.language |
영어 |
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dc.publisher |
공업화학회 |
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dc.title |
Atomistic Molecular Dynamics Simulation of Stimuli-Responsive Poly(2-dimethylaminoethyl methacrylate) |
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dc.type |
Conference Paper |
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dc.date.conferenceDate |
2015-04-29 |
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