Self‐diffusion coefficients of ions in electrolyte solutions by nonequilibrium Brownian dynamics

1990 ◽  
Vol 92 (1) ◽  
pp. 649-657 ◽  
Author(s):  
Fernando O. Raineri ◽  
Mark D. Wood ◽  
Harold L. Friedman
Keyword(s):  
Diffusion Coefficients ◽  
Brownian Dynamics ◽  
Electrolyte Solutions ◽  
Self Diffusion

Concentration dependence of the self-diffusion coefficients of water in electrolyte solutions

1974 ◽  
Vol 14 (6) ◽  
pp. 915-918
Author(s):  
A. M. Sazonov ◽  
V. M. Olevskii ◽  
A. B. Porai-Koshits ◽  
V. N. Skobolev ◽  
G. A. Shmuilovich
Keyword(s):  
Concentration Dependence ◽  
Diffusion Coefficients ◽  
Electrolyte Solutions ◽  
The Self ◽  
Self Diffusion

Transport Properties in Ionic Media

2000 ◽  
Vol 651 ◽  
Author(s):  
A.-L. Rollet ◽  
M. Jardat ◽  
J.-F. Dufrêche ◽  
P. Turq ◽  
D. Canet
Keyword(s):  
Elastic Scattering ◽  
Experimental Evidence ◽  
Transport Properties ◽  
Diffusion Coefficients ◽  
Electrical Transport ◽  
Brownian Dynamics ◽  
Diffusion Processes ◽  
Dynamical Processes ◽  
Self Diffusion ◽  
Nafion Membranes

AbstractTransportcoe[ ]cients in charged media exhibit strong variations, according to the conditions of displacement of the particles. Electrical transport, characterized by the simultaneous displacement of positive and negative charges in opposite directions obeys Ohm's law, but its variation with concentration (non-ideality), depends on several types of interactions, whose time of establishment varies from picosecond to nanosecond. Several diffusion processes can occur: mutual diffusion, where ions move simultaneously in the same direction, keeping local elec- troneutrality, and self diffusion where individual ionic particles move separately. The variation of diffusion coefficients with concentration dependson non-ideality factors analogous to those occuring in conductance, and their experimental evidence is facilitated b y the availability of experimental tec hniquesowing different characteristic times of observation. This phenomenon is particularly noticeable for self-diffsuion coefficients, where the dynamical processes can be observed from the picosecond range (neutron quasi-elastic scattering), to millisecond (NMR) and to hour scale (radiactive tracers). The results are especially enhanced for porous charged media like ion exchanging membranes (nafions).Those results are be explained here theoretically in the framework of contin uous solv en t model theories (brownian dynamics) and experimentally in the study of self-diffusion in nafion membranes.

scholarly journals Theoretical Modelling of Ion Exchange Processes in Glass: Advances and Challenges

2021 ◽  
Vol 11 (11) ◽  
pp. 5070
Author(s):  
Xesús Prieto-Blanco ◽  
Carlos Montero-Orille
Keyword(s):  
Ion Exchange ◽  
Diffusion Coefficients ◽  
Molten Salts ◽  
Theoretical Modelling ◽  
Copper Films ◽  
Theoretical Frameworks ◽  
Self Diffusion ◽  
Exchange Processes ◽  
The One ◽  
Made In

In the last few years, some advances have been made in the theoretical modelling of ion exchange processes in glass. On the one hand, the equations that describe the evolution of the cation concentration were rewritten in a more rigorous manner. This was made into two theoretical frameworks. In the first one, the self-diffusion coefficients were assumed to be constant, whereas, in the second one, a more realistic cation behaviour was considered by taking into account the so-called mixed ion effect. Along with these equations, the boundary conditions for the usual ion exchange processes from molten salts, silver and copper films and metallic cathodes were accordingly established. On the other hand, the modelling of some ion exchange processes that have attracted a great deal of attention in recent years, including glass poling, electro-diffusion of multivalent metals and the formation/dissolution of silver nanoparticles, has been addressed. In such processes, the usual approximations that are made in ion exchange modelling are not always valid. An overview of the progress made and the remaining challenges in the modelling of these unique processes is provided at the end of this review.

scholarly journals Self-Diffusion Coefficients, Aggregation Numbers and the Range of Existence of Spherical Micelles of Oxyethylated Alkylphenols

2021 ◽  
Author(s):  
Victor P. Arkhipov ◽  
Natalia A. Kuzina ◽  
Andrei Filippov
Keyword(s):  
Aqueous Solutions ◽  
Diffusion Coefficients ◽  
The Self ◽  
Self Diffusion ◽  
Aggregation Numbers ◽  
Temperature Ranges ◽  
Spherical Micelles ◽  
Limiting Values

AbstractAggregation numbers were calculated based on measurements of the self-diffusion coefficients, the effective hydrodynamic radii of micelles and aggregates of oxyethylated alkylphenols in aqueous solutions. On the assumption that the radii of spherical micelles are equal to the lengths of fully extended neonol molecules, the limiting values of aggregation numbers corresponding to spherically shaped neonol micelles were calculated. The concentration and temperature ranges under which spherical micelles of neonols are formed were determined.

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