Molecular Investigations on the Behaviours of Surface-Active Materials

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dc.contributor.advisorJian, Cuiying
dc.contributor.authorJalali, Komeil
dc.date.accessioned2023-03-28T21:25:35Z
dc.date.available2023-03-28T21:25:35Z
dc.date.copyright2023-01-18
dc.date.issued2023-03-28
dc.date.updated2023-03-28T21:25:35Z
dc.degree.disciplineMechanical Engineering
dc.degree.levelMaster's
dc.degree.nameMASc - Master of Applied Science
dc.description.abstractThis thesis applied molecular dynamics techniques, a powerful method based on factual observations at nanoscales, to effectively understand macroscopic and microscopic behaviors of surface-active materials in biphasic systems. First, few works have been focused on revealing the effect of naturally occurring organic materials such as naphthenic acids on the behaviors of polyaromatic compounds (known as asphaltenes that are interfacially active) during oil production. To bridge this gap, a series of MD simulations were performed to investigate the effects of molecular structures. It was revealed that naphthenic acids, depending on the solvent type, can either hinder or enhance nano-aggregation among asphaltene molecules. Furthermore, they can affect the orientations of polyaromatic molecules at the oil/water interface. The second direction of this thesis investigated biphasic systems in daily life, i.e., wastewater containing soap. The results obtained shed light on fundamental understandings and utilizations of surface-active materials during industrial applications and in our daily life.
dc.identifier.urihttp://hdl.handle.net/10315/41059
dc.languageen
dc.rightsAuthor owns copyright, except where explicitly noted. Please contact the author directly with licensing requests.
dc.subjectBiochemistry
dc.subjectEngineering
dc.subjectPetroleum engineering
dc.subject.keywordsPolyaromatic
dc.subject.keywordsAsphaltene
dc.subject.keywordsNnaphthenic acid
dc.subject.keywordsMolecular dynamics
dc.subject.keywordsInterface
dc.subject.keywordsSoap
dc.subject.keywordsWastewater treatment
dc.subject.keywordsMolecular investigation
dc.subject.keywordsNano-scale
dc.subject.keywordsPetroleum industry
dc.titleMolecular Investigations on the Behaviours of Surface-Active Materials
dc.typeElectronic Thesis or Dissertation

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