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 “"grand potential"”.
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Finite-temperature many-body perturbation theory for electrons
… to the electronic internal energy, chemical potential, grand potential, and entropy of an ideal gas of noninteracting, identical molecules in a wide range of temperature were determined numerically as the λ-derivatives of the respective quantity calculated exactly by a thermal full …
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Surfactant Aggregation in the Bulk Fluid and at the Fluid-Wall Interface
… concentrations. Solvent and surfactant chemical potentials are determined using both the Widom test particle and the Powles f-g sampling methods. Cluster size distributions are used to demonstrate the thermodynamics of cluster equilibria. The effect of bulk surfactant concentration on the …
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A multiscale theory to determine thermodynamic properties of confined fluids
Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into a continuum framework such as the Nernst- Planck equation. EQT is a simple and fast approach to predict inhomogeneous density and potential profiles of confined fluids. EQT potentials can be …
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A multiscale framework for structure of confined water and electrolytes
… theories. In this work, we present an empirical potential based quasi-continuum theory (EQT) to accurately predict the molecular-level properties of interfacial water and aqueous electrolytes. In EQT, we employ rigorous statistical mechanics tools to incorporate interatomic interactions, …
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Ab initio study of effects of interstitial species on electrochemical and mechanical properties of prussian blue analogues
The student, Sizhe Liu, accepted the attached license on 2021-07-12 at 17:37.