Beyond standard Poisson–Boltzmann theory: ion-specific interactions in aqueous solutions
نویسندگان
چکیده
منابع مشابه
Beyond standard Poisson-Boltzmann theory: ion-specific interactions in aqueous solutions.
The Poisson-Boltzmann mean-field description of ionic solutions has been successfully used in predicting charge distributions and interactions between charged macromolecules. While the electrostatic model of charged fluids, on which the Poisson-Boltzmann description rests, and its statistical mechanical consequences have been scrutinized in great detail, much less is understood about its probab...
متن کاملIon segregation in aqueous solutions.
Microscopic structures and dynamics of aqueous salt solutions were investigated with the ultrafast vibrational energy exchange method and anisotropy measurements. In KSCN aqueous solutions of various concentrations, the rotational time constants of SCN(-) anions are proportional to the viscosities of the solutions. However, the reorientation dynamics of the water molecules are only slightly aff...
متن کاملExploring Ion-Ion Interactions in Aqueous Solutions by a Combination of Molecular Dynamics and Neutron Scattering.
Recent advances in computational and experimental techniques have allowed for accurate description of ion pairing in aqueous solutions. Free energy methods based on ab initio molecular dynamics, as well as on force fields accounting effectively for electronic polarization, can provide quantitative information about the structures and occurrences of individual types of ion pairs. When properly b...
متن کاملProbing ion-specific effects on aqueous acetate solutions: Ion pairing versus water structure modifications
The effect of monovalent cations (Li(+), K(+), NH4 (+), Na(+)) on the water structure in aqueous chloride and acetate solutions was characterized by oxygen K-edge X-ray absorption spectroscopy (XAS), X-ray emission spectroscopy, and resonant inelastic X-ray scattering (RIXS) of a liquid microjet. We show ion- and counterion dependent effects on the emission spectra of the oxygen K-edge, which w...
متن کاملAqueous solutions of tetraalkylammonium halides: ion hydration, dynamics and ion-ion interactions in light of steric effects.
Molecular simulations have allowed us to probe the atomic details of aqueous solutions of tetramethylammonium (TMA) and tetrabutylammonium (TBA) bromide, across a wide range of concentrations (0.5 to 3-4 molal). We highlight the space-filling (TMA(+)) versus penetrable (TBA(+)) nature of these polyatomic cations and its consequence for ion hydration, ion dynamics and ion-ion interactions. A wel...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 2009
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/21/42/424106