Global ETD Search
Search theses and dissertations gathered from participating repositories worldwide. Every result links back to the library that holds it. No account is needed.
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Showing 1 to 5 of 5 for “"Modified Poisson-Boltzmann"”.
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Mathematical Modeling of Microscale Biology in Polyelectrolyte Brushes
… polyelectrolyte brushes using both steady state modified Poisson-Boltzmann models and transient modified Poisson-Nernst-Planck models that incorporate important ion-specific (Hofmeister) effects. The transient model enables observation of the relative physical effects as an initial …
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THEORETICAL PREDICTIONS OF POTENTIALS FOR INTERMEDIATE STEPS IN METHANOL AND ETHANOL ELECTROCHEMICAL OXIDATION ON Pt(111)
… This density functional theory (DFT) code uses modified Poisson-Boltzmann theory (MPB) and the dielectric continuum model to model the solvent, and allows adding or subtracting electronic charge to the solute or the surface with considering electrolyte response. Adsorption energies for reaction …
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Finite element methods for implicit solvent models
… and are thus computationally efficient. The Poisson-Boltzmann equation (PBE) is one important example. We design a FEM for the linear PBE by directly exposing the flux through a first-order system. We propose a system that yields a tractable least-squares finite element formulation and …
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Electrostatic control of microfluidic systems for enhancement of nanoparticle separations and FET nanobiosensors
… and incorporated theoretical advancements from Modified Poisson-Boltzmann models, to accurately predict the regimes in which desalting of highly saline solutions can be effective. Furthermore, we have designed a biasing scheme in which the on-chip microelectrodes can gate bias the FETs during …
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Ion specific effects on charged interfaces
… at the same level of electrostatics in the Poisson-Boltzmann description of ion-ion and ion-surface interactions. The investigation of the effects that the type of salt and its concentration have on the properties (surface charge and potential, electrochemical behavior) of some proteins …