This book contains electrolyte conductivity data of solutions in binary solvent mixtures of acetonitrile and the organic carbonates, ethylene carbonate and butylene carbonate, at electrolyte concentrations from high dilution to saturation in the temperature range from 238 K to 378 K over the whole mixing range of the solvent systems. Data analysis of conductivity data at low to moderate concentrations is based on the chemical model equation for partially associating electrolytes giving the association constant and limiting molar conductivity. For concentrated solution the empirical Casteel-Amis equation reproduces satisfactorily well conductivity as a function of molality from moderate concentrations up to saturation.
F.16 Improvements to an existing information system/databases
COBISS.SI-ID: 1536090307It has been found that the ions with large difference in the hydration free energy (large difference in size) have relatively low association constant compared to those who have similar hydration free energy and tend to associate in water. The microscopic structure was obtained with Monte Carlo computer simulations, using a simple two-dimensional water model. It has been shown that in all cases, the relative water density between two ions increases, compared to the relative water density around two separate ions. In case of two small ions, the two are associated due to the strong electrostatic interaction (in agreement with the Collins' "Law of matching water affinities"), while in the case of two large ions, we attribute the pairing to entropic reasons. On the other hand, in the case of two ions with very different water affinities, the small ion would be strongly hydrated and not releasing its water upon pairing, the process leading to a small association constant. The difference in the hydration may lead also to the different mobility of ions. In this plenary lecture these problems were presented and discussed for diverse systems.
B.04 Guest lecture
COBISS.SI-ID: 1536355779This book contains electrolyte conductivity data of solutions in binary solvent mixtures of acetonitrile and propylene carbonate at electrolyte concentrations from high dilution to saturation in the temperature range from 238 K to 378 K over the whole mixing range of the solvent systems. Data analysis of conductivity data at low to moderate concentrations is based on the chemical model equation for partially associating electrolytes giving the association constant and limiting molar conductivity. For concentrated solution the empirical Casteel-Amis equation reproduces satisfactorily well conductivity as a function of molality from moderate concentrations up to saturation.
F.16 Improvements to an existing information system/databases
COBISS.SI-ID: 1536371651Slovenian Chemical Days are the traditional scientific meeting (conference) for members of the Slovene Chemical Society and the other interested experts from the field of chemistry, chemical technology, and chemical engineering, to present our scientific work, exchange experiences and to forge new and connect with old acquaintances.
B.01 Organiser of a scientific meeting
COBISS.SI-ID: 281286912Effects of additions of salts on stability of aqueous protein solutions are studied theoretically and the results compared with experimental data. In our approach all the interacting species: proteins, ions and water molecules are accounted for explicitly. Water molecules are modeled as hard spheres with four off-center attractive square-well sites. These sites serve to bind either another water, or to solvate the ions or protein charges. The ions are represented as charged hard spheres. Spherical proteins simultaneously posses positive and negative groups. The attractive square-well sites, mimicking the protein--protein van der Waals interaction, are located on the surface of the protein. To obtain numerical results we utilized Wertheim's associative mean spherical approximation. We choose to calculate the second virial coefficient, which is closely related to the tendency of proteins to crystallize. Calculations are in good agreement with experimental trends.
B.03 Paper at an international scientific conference
COBISS.SI-ID: 1536572099