Industrial applications such as batteries and bio-separations require modeling the thermodynamic properties of mixed solvent electrolytes. Thermodynamic models for electrolytes often consider solvents a dielectric continuum characterized by their constant. Therefore, accurate predictions physically sound model constant solvents, depending on temperature, pressure, mixture composition. We presen...

It is often incorrectly assumed that the number of microstates Ω(E, V, N, ...) available to an isolated system can have arbitrary dependence on the extensive variables E, V, N, ... However, this is not the case for systems which can, in principle, reach thermodynamic equilibrium since restrictions arise from the underlying equilibrium statistical mechanic axioms of independence and a priori equ...

Values of dielectric constant (ε’ ), dielectric loss (ε’’), relaxation time (τ), conductivity (σ) of Pearl millet (HHB 62) were measured at room temperature at four different frequencies viz 4.65 GHz, 7.00 GHz, 9.35 GHz and 14.98 GHz in microwave region, using two point method and employing a specially designed dielectric cell for powders. Also, effect of variation of moisture content on dielec...

We have found a remarkable increase (up to 60%) of the dielectric constant with the onset of magnetic order at 42 K in the metastable orthorhombic structures of YMnO3 and HoMnO3 that proves the existence of a strong magnetodielectric coupling in the compounds. Magnetic, dielectric, and thermodynamic properties show distinct anomalies at the onset of the incommensurate magnetic order and thermal...

We have investigated the effects of dipping time, solution concentration and solvent type on the formation of self-assembled monolayers with aminosiloxane molecules (i.e., N-(3 trimethoxysilylpropyl)diethylenetriamine (TPDA)) on the Si(001) surface. Studies performed with an ellipsometer showed that monolayers with a thickness of about 1.2 nm were formed when the dipping time is about 2 h, whil...

The emission anisotropy (EA) of 4-Dimethyl-amino-4'nitrostilbene (DNS), 4-Amino-4'-nitrostilbene (ANS) and 2,5-Di(4-biphenylyl)oxazole (BBO) was observed to be decreasing with increasing dielectric constant e of the solvent. The effect is interpreted as an influence of the Onsager reaction field on the volume of the solvent shell, which in the excited state is smaller in solvents with larger e....

In their seminal paper of 1923, Debye and Hückel provided the first appropriate description effect ionic strength on thermodynamic properties dilute electrolyte solutions. This landmark work paved way for what was later called primitive model electrolytes. At this level, an solution is modeled as a collection charged hard spheres in dielectric continuum that manifests itself only through its co...

The solvation model proposed by Fattebert and Gygi [J. Comput. Chem. 23, 662 (2002)] and Scherlis et al. [J. Chem. Phys. 124, 074103 (2006)] is reformulated, overcoming some of the numerical limitations encountered and extending its range of applicability. We first recast the problem in terms of induced polarization charges that act as a direct mapping of the self-consistent continuum dielectri...

Charge inversion occurs when the effective charge of a surface exposed to solution reverses polarity due to an excess of counterions accumulating in the immediate vicinity of the surface. Using atomic force spectroscopy, we have directly measured the effect on charge inversion of changing the dielectric constant of the solvent and the surface-charge density. Both decreasing the dielectric const...