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곽상규

Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
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dc.citation.endPage 3040 -
dc.citation.number 10 -
dc.citation.startPage 3036 -
dc.citation.title JOURNAL OF CHEMICAL AND ENGINEERING DATA -
dc.citation.volume 59 -
dc.contributor.author Son, Ga Eun -
dc.contributor.author Sugartseren, Nyambayar -
dc.contributor.author Yoon, Won-Byong -
dc.contributor.author Kwak, Sang Kyu -
dc.date.accessioned 2023-12-22T02:10:47Z -
dc.date.available 2023-12-22T02:10:47Z -
dc.date.created 2014-05-08 -
dc.date.issued 2014-10 -
dc.description.abstract We investigated phase behavior of a mixture solution involved in the vanillin extraction via a coarse-grained simulation method, dissipative particle dynamics (DPD). The ternary mixture, which consists of water, vanillin, and ethanol, is chosen for the study. Four phases depending on different compositions of three species have been formed; micellar, lamellar, transitional, and columnar phases. Ternary phase diagrams have been constructed at 298 K and 333 K. From the diagrams, we identified an optimal range of compositions, which satisfy two important criteria; one is the solubility of vanillin in ethanol and the other is the FDA regulation for the ethanol usage. The ratios of volume percents for the optimal range are 40:20:40 and 50:20:30 for water, vanillin, and ethanol, respectively, and the systems mostly have lamellar phases. Interestingly, those compositions well follow an economic perspective in which there is the least usage of ethanol and the most extraction of vanillin. -
dc.identifier.bibliographicCitation JOURNAL OF CHEMICAL AND ENGINEERING DATA, v.59, no.10, pp.3036 - 3040 -
dc.identifier.doi 10.1021/je5001186 -
dc.identifier.issn 0021-9568 -
dc.identifier.scopusid 2-s2.0-84907942632 -
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/4501 -
dc.identifier.url http://pubs.acs.org/doi/abs/10.1021/je5001186 -
dc.identifier.wosid 000343017000012 -
dc.language 영어 -
dc.publisher AMER CHEMICAL SOC -
dc.title Phase Behavior of Ternary Mixtures of Water-Vanillin-Ethanol for Vanillin Extraction via Dissipative Particle Dynamics -
dc.type Article -
dc.description.isOpenAccess FALSE -
dc.relation.journalWebOfScienceCategory Thermodynamics; Chemistry, Multidisciplinary; Engineering, Chemical -
dc.relation.journalResearchArea Thermodynamics; Chemistry; Engineering -
dc.description.journalRegisteredClass scie -
dc.description.journalRegisteredClass scopus -

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