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DC Field | Value | Language |
---|---|---|
dc.citation.startPage | 125479 | - |
dc.citation.title | FUEL | - |
dc.citation.volume | 329 | - |
dc.contributor.author | Go, Woojin | - |
dc.contributor.author | Yun, Soyeong | - |
dc.contributor.author | Lee, Dongyoung | - |
dc.contributor.author | Seo, Yongwon | - |
dc.date.accessioned | 2023-12-21T13:16:32Z | - |
dc.date.available | 2023-12-21T13:16:32Z | - |
dc.date.created | 2022-09-19 | - |
dc.date.issued | 2022-12 | - |
dc.description.abstract | In this study, three dipeptides (Gly-Gly, Ala-Ala, and Ala-Gly) were appraised as environmentally benign hydrate inhibitors for CH4 hydrate using both experimental and computational methods. Their kinetic inhibition performance was experimentally evaluated using a stirred high-pressure autoclave and a non-stirred high-pressure micro-differential scanning calorimeter. The experimental results demonstrated that the three dipeptides functioned well as CH4 hydrate inhibitors. Ala-Gly was found to be the most effective, and its inhibition performance was comparable to that of polyvinylcaprolactam (PVCap), a polymer-based commercial hydrate inhibitor. Snapshots, hydrate counts, F3 and F4 order parameters, displacement magnitude, mean square displacement, and radial distribution functions of each peptide-containing system were examined using molecular dynamics (MD) simulations to reveal the inhibition mechanism of dipeptides. The MD simulations showed that the N-termini of the dipeptides were the key constituents for inhibiting the CH4 hydrate, and the Ala-Gly-containing system had the strongest interaction between dipeptide molecules and CH4 hydrate. The overall results provide a better understanding of nature-derived, environmentally friendly hydrate inhibitors and offer insights into the molecular inhibition mechanism of various potential inhibitors. | - |
dc.identifier.bibliographicCitation | FUEL, v.329, pp.125479 | - |
dc.identifier.doi | 10.1016/j.fuel.2022.125479 | - |
dc.identifier.issn | 0016-2361 | - |
dc.identifier.scopusid | 2-s2.0-85135507464 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/59689 | - |
dc.identifier.wosid | 000850687700001 | - |
dc.language | 영어 | - |
dc.publisher | ELSEVIER SCI LTD | - |
dc.title | Dipeptides as environmentally friendly CH4 hydrate inhibitors: Experimental and computational approaches | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Energy & Fuels; Engineering, Chemical | - |
dc.relation.journalResearchArea | Energy & Fuels; Engineering | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | CH 4 hydrate | - |
dc.subject.keywordAuthor | Kinetic hydrate inhibitors | - |
dc.subject.keywordAuthor | Dipeptides | - |
dc.subject.keywordAuthor | Molecular dynamics | - |
dc.subject.keywordAuthor | Interaction energy | - |
dc.subject.keywordPlus | GAS | - |
dc.subject.keywordPlus | DESALINATION | - |
dc.subject.keywordPlus | SIMULATIONS | - |
dc.subject.keywordPlus | GROWTH | - |
dc.subject.keywordPlus | WATER | - |
dc.subject.keywordPlus | ICE | - |
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