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The First Direct Detection of Kirkwood Transitions in Concentrated Aqueous Electrolytes using Small Angle X-ray Scattering
Mohammadhasan Dinpajooh, Elisa Biasin, Christopher J. Mundy +6
Ion-ion correlations, screening, and equilibrium bulk structure in various concentrated electrolytes are investigated using synchrotron small angle X-ray scattering (SAXS), theory,…
Smoothed Dissipative Particle Dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations
Huan Lei, Nathan A. Baker, Lei Wu +3
Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed diss…
The Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface
Marcel D. Baer, Abraham C. Stern, Yan Levin +2
We demonstrate that the driving forces for ion adsorption to the air-water interface for point charge models results from both cavitation and a term that is of the form of a negati…
Simulation and Theory of Ions at Atmospherically Relevant Aqueous Liquid-Air Interfaces
Douglas J. Tobias, Abraham C. Stern, Marcel D. Baer +2
Chemistry occurring at or near the surfaces of aqueous droplets and thin films in the atmosphere influences air quality and climate. Molecular dynamics simulations are becoming inc…