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Linking the Continuum and Molecular Scales of Adsorption Modeling for Non-Ionic Small Molecules and Homopolymers

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서명/저자사항Linking the Continuum and Molecular Scales of Adsorption Modeling for Non-Ionic Small Molecules and Homopolymers.
개인저자Huston, Kyle Jeffrey.
단체저자명University of Michigan. Chemical Engineering.
발행사항[S.l.]: University of Michigan., 2018.
발행사항Ann Arbor: ProQuest Dissertations & Theses, 2018.
형태사항188 p.
기본자료 저록Dissertation Abstracts International 79-12B(E).
Dissertation Abstract International
ISBN9780438126541
학위논문주기Thesis (Ph.D.)--University of Michigan, 2018.
일반주기 Source: Dissertation Abstracts International, Volume: 79-12(E), Section: B.
Adviser: Ronald G. Larson.
요약Computational tensiometry and other quantitative adsorption predictions for small molecules and polymers are possible in the foreseeable future, but first, the application of the techniques to surfactant adsorption must be developed, and basic r
요약In the first approach, we simulate poly(ethylene oxide) (PEO) oligomers and a model Tween 80 (polyoxyethylene sorbitan monooleate) molecule at the water/alkane interface. We use the weighted histogram analysis method (WHAM) to calculate interfac
요약In the second approach, we sought to explain experiments that show relaxation of oil/water interfacial tension by adsorption of alkyl ethoxylate surfactants from water is delayed relative to diffusion-controlled adsorption. We examine possible c
요약In the third approach, we compute desorption rates for isolated polymers stuck to a solid wall with forward flux sampling (FFS). We interpret computed rates on the basis of a conjecture that a dimensionless desorption time scales with the equili
일반주제명Chemical engineering.
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