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MODELING LIQUID EVAPORATION AND USING MOLECULAR DYNAMICS SIMULATION TO ESTIMATE DIFFUSION COEFFICIENTS AND RELATIVE SOLVENT DRYING TIMES

dc.contributor.advisorKlauda, Jeffery Ben_US
dc.contributor.authorChoudhary, Rehanen_US
dc.date.accessioned2017-06-22T06:05:16Z
dc.date.available2017-06-22T06:05:16Z
dc.date.issued2017en_US
dc.identifierhttps://doi.org/10.13016/M2G58R
dc.identifier.urihttp://hdl.handle.net/1903/19403
dc.description.abstractIn this thesis, the Simultaneous Mass and Energy Evaporation (SM2E) model is presented. This model is based on theoretical expressions for mass and energy transfer and can be used to estimate evaporation rates for pure liquids as well as liquid mixtures at laminar, transition, and turbulent flow conditions. However, due to limited availability of evaporation data, the model has so far only been tested against data for pure liquids and binary mixtures. The model can take evaporative cooling into account. For the case of isothermal evaporation, the model becomes a mass transfer-only model. Also in this thesis, molecular dynamics (MD) simulation is used to estimate gas phase diffusion coefficients based on mean-square displacement methods and results are compared with Chapman-Enksog theory. MD simulation is also used to model evaporation of solvents into air and relative solvent drying times based on simulation are compared with measured values.en_US
dc.language.isoenen_US
dc.titleMODELING LIQUID EVAPORATION AND USING MOLECULAR DYNAMICS SIMULATION TO ESTIMATE DIFFUSION COEFFICIENTS AND RELATIVE SOLVENT DRYING TIMESen_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.departmentChemical Engineeringen_US
dc.subject.pqcontrolledChemical engineeringen_US
dc.subject.pqcontrolledMolecular physicsen_US
dc.subject.pqcontrolledEnvironmental engineeringen_US
dc.subject.pquncontrolleddiffusion coefficientsen_US
dc.subject.pquncontrolledexposure assessmenten_US
dc.subject.pquncontrolledliquid evaporationen_US
dc.subject.pquncontrolledmean square displacementen_US
dc.subject.pquncontrolledmolecular dynamicsen_US
dc.subject.pquncontrolledrisk assessmenten_US


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