In this work, the results relating to the mean activity coefficient measurements for ionic liquid of 1- propyl -3 methylimidazolium bromide, [PMIm]Br in ethanol+ water mixtures have been reported using potentiometric measurements at T=( 298.2, 308.2 and 318.2)K. The electromotive force (emf) measurements were performed on the galvanic cell of the type:Br-ISE│[PrMIm] (m) ethanol (wt.%), H2O (1−w...

A theory is presented which allows us to accurately calculate the density profile of monovalent and multivalent counterions in suspensions of polarizable colloids or nanoparticles. In the case of monovalent ions, we derive a weak-coupling theory that explicitly accounts for the ion-image interaction, leading to a modified Poisson-Boltzmann equation. For suspensions with multivalent counterions,...

We investigate the modification of gas phase ion polarizabilities upon solvation in polar solvents and ionic liquids. To this aim, we develop a classical electrostatic theory of charged liquids composed of solvent molecules modeled as finite size dipoles, and embedding polarizable ions that consist of Drude oscillators. In qualitative agreement with ab initio calculations of polar solvents and ...

Single-ion detection has, for many years, been the domain of large devices such as the Geiger counter, and studies on interactions of ionized gasses with materials have been limited to large systems. To date, there have been no reports on single gaseous ion interaction with microelectronic devices, and single neutral atom detection techniques have shown only small, barely detectable responses. ...

the interaction of fe2+ ion with pyrazole was theoretically studied by gussian 03, software at hf/(lanl2dz+6-31g) and hf/ (lanl2dz+6-31g (d)) levels in gas phase and solution. in this study acompartion between optimized structures of pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (h°), gibbs free energy (g°) and entropy (s°) in presence of metallic ion(fe2+), was perfor...

a difference in salt concentration in two solutions separated by a membrane leads to an electrical potential difference across the membrane, also without applied current. a literature study is presented on proposed theories for the origin of this membrane potential (ϕm). the most well-known theoretical description is teorell-meyer-sievers (tms) theory, which we analyze and extend. experimental ...

The study aimed to cast light on the structure and internal energetics of guanine- and xanthine-based model DNA quadruplexes and the physico-chemical nature of the non-covalent interactions involved. Several independent approaches were used for this purpose: DFT-D3 calculations, Quantum Theory of Atoms in Molecules, Natural Bond Orbital Analysis, Energy Decomposition Analysis, Compliance Consta...