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Seo, Yongwon
Advanced Clean Energy Lab.
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dc.citation.endPage 6162 -
dc.citation.number 16 -
dc.citation.startPage 6153 -
dc.citation.title ACS SUSTAINABLE CHEMISTRY & ENGINEERING -
dc.citation.volume 11 -
dc.contributor.author Yun, Soyeong -
dc.contributor.author Jo, Insol -
dc.contributor.author Go, Woojin -
dc.contributor.author Kim, Yeungchan -
dc.contributor.author Kim, Ki-Sub -
dc.contributor.author Seo, Yongwon -
dc.date.accessioned 2023-12-21T12:42:25Z -
dc.date.available 2023-12-21T12:42:25Z -
dc.date.created 2023-05-11 -
dc.date.issued 2023-04 -
dc.description.abstract Cellulose is a cheap, ecofriendly, and abundant organic polymer. In this study, physically or chemically modified microcrystalline cellulose (MCC) was evaluated as a kinetic hydrate inhibitor (KHI) for CH4 hydrates using experimental and computational methods. To overcome the strong hydrophobicity of MCC, high-pressure homogenized cellulose (HPHC) was prepared by dispersing MCC homogeneously in water, and surface-modified ionic cellulose (SMIC) was obtained by attaching an ionic liquid (1,3-dimethylimidazolium methylphosphite, [DMIM][MP]) to the surface of MCC. The onset temperature and gas uptake of CH4 hydrates were experimentally measured to examine the inhibition performance of HPHC and SMIC. Experimental results demonstrated that both HPHC and SMIC functioned as potential KHIs and SMIC had better inhibition capability than HPHC. Molecular dynamics simulations were performed to reveal the inhibition mechanisms of the KHIs during cage formation and hydrate growth. It was found that the different inhibition effects of the KHIs were caused by a combination of multiple inhibition mechanisms, including both their interactions with water and cage adsorption. Given the improved hydrophilicity and inhibition performance through physical or chemical modification of the naturally derived organic compound, cellulose holds great potential as a novel and green KHI. -
dc.identifier.bibliographicCitation ACS SUSTAINABLE CHEMISTRY & ENGINEERING, v.11, no.16, pp.6153 - 6162 -
dc.identifier.doi 10.1021/acssuschemeng.2c06242 -
dc.identifier.issn 2168-0485 -
dc.identifier.scopusid 2-s2.0-85152652895 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/64325 -
dc.identifier.wosid 000971756300001 -
dc.language 영어 -
dc.publisher AMER CHEMICAL SOC -
dc.title Water-Soluble Cellulose As a New Class of Green CH4 Hydrate Inhibitors: Insights from Experiments and Molecular Dynamics Simulations -
dc.type Article -
dc.description.isOpenAccess FALSE -
dc.relation.journalWebOfScienceCategory Chemistry, Multidisciplinary; Green & Sustainable Science & Technology; Engineering, Chemical -
dc.relation.journalResearchArea Chemistry; Science & Technology - Other Topics; Engineering -
dc.type.docType Article -
dc.description.journalRegisteredClass scie -
dc.description.journalRegisteredClass scopus -
dc.subject.keywordAuthor Cellulose -
dc.subject.keywordAuthor Inhibition mechanism -
dc.subject.keywordAuthor Inhibitor -
dc.subject.keywordAuthor Ionic liquid -
dc.subject.keywordAuthor Methane hydrate -
dc.subject.keywordAuthor Molecular dynamics -
dc.subject.keywordPlus GAS HYDRATE -
dc.subject.keywordPlus IONIC-LIQUID -
dc.subject.keywordPlus NUCLEATION -
dc.subject.keywordPlus GUEST -
dc.subject.keywordPlus CO2 -
dc.subject.keywordPlus HYDROGEN -
dc.subject.keywordPlus GROWTH -
dc.subject.keywordPlus PHASE -

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