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MOLECULAR DYNAMICS SIMULATION OF DICARBOXYLIC ACID COATED AQUEOUS AEROSOL: STRUCTURE AND PROCESSING OF WATER VAPOR

dc.contributor.advisorZachariah, Michael Ren_US
dc.contributor.authorMa, Xiaofeien_US
dc.date.accessioned2010-07-03T05:32:34Z
dc.date.available2010-07-03T05:32:34Z
dc.date.issued2010en_US
dc.identifier.urihttp://hdl.handle.net/1903/10440
dc.description.abstractLow molecular weight dicarboxylic acids constitute a significant fraction of water-soluble organic aerosols in the atmosphere. They have a potential contribution to the formation of cloud condensation nuclei (CCN) and are involved in a series of chemical reactions occurring in atmosphere. In this work, molecular dynamics simulation method was used to probe the structure and the interfacial properties of the dicarboxylic acid coated aqueous aerosol. Low molecular weight dicarboxylic acids of various chain lengths and water solubility were chosen to coat a water droplet consisting of 2440 water molecules. For malonic acid coated aerosol, the surface acid molecules dissolved into the water core and form an ordered structure due to the hydrophobic interactions. For other nanoaerosols coated with low solubility acids, phase separation between water and acid molecules was observed. To study the water processing of the coated aerosols, the water vapor accommodation factors were calculated.en_US
dc.titleMOLECULAR DYNAMICS SIMULATION OF DICARBOXYLIC ACID COATED AQUEOUS AEROSOL: STRUCTURE AND PROCESSING OF WATER VAPORen_US
dc.typeThesisen_US
dc.contributor.publisherDigital Repository at the University of Marylanden_US
dc.contributor.publisherUniversity of Maryland (College Park, Md.)en_US
dc.contributor.departmentApplied Mathematics and Scientific Computationen_US
dc.subject.pqcontrolledApplied Mathematicsen_US
dc.subject.pqcontrolledChemistry, Physicalen_US
dc.subject.pqcontrolledNanoscienceen_US
dc.subject.pquncontrolledaerosolen_US
dc.subject.pquncontrolledcloud condensation nucleien_US
dc.subject.pquncontrolleddicarboxylic aciden_US
dc.subject.pquncontrolledmolecular dynamics simulationen_US
dc.subject.pquncontrollednanostructureen_US
dc.subject.pquncontrolledwater processingen_US


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