Transport of cryptates as model brownons: electrical mobilities and self-diffusion coefficients of monovalent and divalent ions cryptated by 222 in aqueous solutions

1993 ◽  
Vol 97 (19) ◽  
pp. 5136-5140 ◽  
Author(s):  
Sophie Rossy-Delluc ◽  
Thierry Cartailler ◽  
Pierre Turq ◽  
Olivier Bernard ◽  
Nicole Morel-Desrosiers ◽  
...  
Keyword(s):  
Aqueous Solutions ◽  
Diffusion Coefficients ◽  
Divalent Ions ◽  
Self Diffusion

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.

Generalized concentration dependence of globular protein self-diffusion coefficients in aqueous solutions

Biopolymers ◽  
2002 ◽  
Vol 63 (2) ◽  
pp. 132-140 ◽  
Author(s):  
Irina V. Nesmelova ◽  
Vladimir D. Skirda ◽  
Vladimir D. Fedotov
Keyword(s):  
Aqueous Solutions ◽  
Concentration Dependence ◽  
Diffusion Coefficients ◽  
Globular Protein ◽  
Self Diffusion

scholarly journals Investigation of the Self-Diffusion Coefficients of Trivalent Gd3+ in aqueous solutions: The Effect of Hydrolysis and nitrate ion association

2012 ◽  
Vol 1 (6) ◽  
pp. 334-346 ◽  
Author(s):  
Rafik Besbes ◽  
Noureddine Ouerfelli ◽  
Manef Abderabba ◽  
Patric Lindqvist-Reis ◽  
Habib Latrous
Keyword(s):  
Aqueous Solutions ◽  
Diffusion Coefficients ◽  
Ion Association ◽  
The Self ◽  
Nitrate Ion ◽  
Self Diffusion

scholarly journals Diffusion in Binary Aqueous Solutions of Alcohols by Molecular Simulation

Processes ◽  
2019 ◽  
Vol 7 (12) ◽  
pp. 947 ◽  
Author(s):  
Alexander Klinov ◽  
Ivan Anashkin
Keyword(s):  
Experimental Data ◽  
Aqueous Solutions ◽  
Diffusion Coefficients ◽  
Force Fields ◽  
Fickian Diffusion ◽  
Intermolecular Potential ◽  
Thermodynamic Factor ◽  
Self Diffusion ◽  
Temperature Dependences ◽  
Transport Diffusion

Based on the molecular dynamics method, the calculations for diffusion coefficients were carried out in binary aqueous solutions of three alcohols: ethanol, isopropanol, and tert-butanol. The intermolecular potential TIP4P/2005 was used for water; and five force fields were analyzed for the alcohols. The force fields providing the best accuracy of calculation were identified based on a comparison of the calculated self-diffusion coefficients of pure alcohols with the experimental data for internal (Einstein) diffusion coefficients of alcohols in solutions. The temperature and concentration dependences of the interdiffusion coefficients were determined using Darken’s Equation. Transport (Fickian) diffusion coefficients were calculated using a thermodynamic factor determined by the non-random two-liquid (NRTL) and Willson models. It was demonstrated that for adequate reproduction of the experimental data when calculating the transport diffusion coefficients, the thermodynamic factor has to be 0.64. Simple approximations were obtained, providing satisfactory accuracy in calculating the concentration and temperature dependences of the transport diffusion coefficients in the studied mixtures.

Solvation of Ions in Aqueous Solutions of Hydrophobic Solutes

1993 ◽  
Vol 48 (8-9) ◽  
pp. 906-910
Author(s):  
Ewa Hawlicka ◽  
Roman Grabowski
Keyword(s):  
Aqueous Solutions ◽  
Diffusion Coefficients ◽  
Hydration Shell ◽  
Solvent Composition ◽  
The Self ◽  
Ionic Radii ◽  
Self Diffusion ◽  
Solvation Of Ions ◽  
Hydrophobic Solutes ◽  
First Hydration Shell

Abstract The self-diffusion of Na+, Et4N+ and I- in mixtures of water with n-propanol at 25 °C and with lert-butanol at 30 °C was measured as function of salt concentration and solvent composition. The limiting self-diffusion coefficients of the ions were used to compute the ionic radii. The influence of the composition of the solvent on the solvation of the ions is discussed. In aqueous solutions of both alcohols the effective ionic radii are reduced. The strongest influence is found for the same solvent composition for which the highest concentration of the alcohol clusters has been reported. Hydra-tion of the clusters of n-propanol causes a vanishing of the second hydration shell of Na+ and the first one of Et4N+ and I-. In the case of terf-butanol even the first hydration shell of Na+ is partially reduced.

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