Beyond the Classical Transport Laws of Electrochemistry:  New Microscopic Approach to Ionic Conductance and Viscosity

Abstract

We present the results of molecular dynamics simulations of n-butane and isobutane in silicalite. We begin with a comparison of the bulk adsorption and diffusion properties for two different parameterizations of the interaction potential between the hydrocarbon species, both of which have been shown to reproduce experimental gas-liquid coexistence curves. We examine diffusion as a function of the loading of the zeolite, as well as the temperature dependence of the diffusion constant at loading and for infinite dilution. We continue with simulations in which interfaces are formed between single component gases and the zeolite. After reaching equilibrium, we examine the dynamics of exchange between the bulk gas and the zeolite. Finally, we calculate the permeability of the zeolite for n-butane and isobutane as a function of pressure. Our simulations are performed for a number of different gas temperatures and pressures, covering a wide range of state points.1

Long-term colloidal stability and metal leaching of single wall carbon nanotubes: Effect of temperature and extracellular polymeric substances

“…Density and viscosity are higher in seawater than freshwater by about 3% and 10% respectively (El-Dessouky and Ettouney, 2002). In the presence of salts (hydrated ions), water molecules are organized around the ions via ionedipole interactions, mostly leading to increased viscosity (Chandra and Bagchi, 2000). Increased viscosity results from increased ion concentration, especially for ions of higher valence (Chandra and Bagchi, 2000), which are abundant in SEA and w a t e r r e s e a r c h 4 9 ( 2 0 1 4 ) 2 3 6 e2 5 0 LW (Table 1).…”

Thermal Conductivity and Viscosity of Aqueous K2SO4 Solutions at Temperatures from 298 to 575 K and at Pressures up to 30 MPa

“…The model reproduces the viscosity of aqueous systems ranging from dilute to concentrated solutions (30 m) at temperatures up to 573 K. Chandra and Bagchi [8,9] developed a new microscopic model for the ionic contribution to the viscosity of dilute electrolyte solutions on the basis of mode coupling theory. They presented a microscopic study of the concentration dependence of the viscosity of an electrolyte solution.…”

“…The thermal conductivity and viscosity of electrolyte solutions are also of research interest (scientific applications) because the long-range electrostatic interactions (coulombic forces between ions) cause difficulty in describing the behavior of such systems [4][5][6][7][8][9][10][11]. Electrostatic interactions govern thermodynamic and transport properties of ionic electrolyte solutions.…”

Frequency dependence of the ionic conductivity in water + ammonium nitrate electrolyte solutions

“…[14,15] Description of the dynamics of ions immersed in a given liquid medium presents no simple task because of different possible interactions between the ions and the molecules of the medium. The interations result in formation of the ions solvation shells which move as the whole entity and which dimention and structure is temperature and ions concentration dependent.…”

“…The second phenomenon is related to the inertia of ions. [13][14][15] In the electric field of high frequencies, ions can no longer follow rapid changes of the stimulus what leads to decrease of the amplitude of oscillations of the ions. Consequently, with increasing frequency of the stimulus the inertial effect reveals as a gradual decreasing of the electrical conductivity from DC  to zero.…”