Molecular Modeling of Diffusion Coefficient and Ionic Conductivity of CO2in Aqueous Ionic Solutions

2012 ◽  
Vol 116 (9) ◽  
pp. 2787-2800 ◽  
Author(s):  
Miquel Garcia-Ratés ◽  
Jean-Charles de Hemptinne ◽  
Josep Bonet Avalos ◽  
Carlos Nieto-Draghi
Keyword(s):  
Diffusion Coefficient ◽  
Molecular Modeling ◽  
Ionic Conductivity ◽  
Ionic Solutions ◽  
Aqueous Ionic Solutions

Characterization of New Ionically Conducting Peo-Based Networks by Diffusion, Elasticity Modulus and Ionic Conductivity Measurements

1992 ◽  
Vol 293 ◽  
Author(s):  
Herve Cheradame ◽  
F. Desbat ◽  
P. Mercier-Niddam ◽  
S. Boileau
Keyword(s):  
Diffusion Coefficient ◽  
Ionic Conductivity ◽  
Elasticity Modulus ◽  
Sol Gel ◽  
Cation Transport ◽  
Lithium Cation ◽  
Conductivity Measurements ◽  
Conducting Materials ◽  
Diffusion Studies

AbstractIonically conducting materials containing PEO were prepared from telechelic di(methyl-diethoxy-silane) PEO, synthesized by the hydrosilylation of telechelic diallyl-PEO with methyldiethoxysilane. The network is obtained by the usual sol-gel chemistry. Then, it is filled with LiClO4 by diffusion of the salt and further drying. A comparison is made with the same kind of materials crosslinked using urethane chemistry. Diffusion studies show that the diffusion coefficient of solvent is similar for both types of materials, whilst the ionic conductivity is higher for the networks crosslinked with siloxane bonds. An experiment of diffusion of LiClO4 without solvent showed that this salt has a diffusion coefficient of the order of 2.10-8 cm2.sec-1 at 34°C. The conductivity calculated from this determination is compatible with the mechanism of lithium cation transport by the diffusion of salt molecules. Elasticity modulus measurements show that the salt aggregates are essentially located within the crosslinks at low concentration, but also in the PEO chains for salt concentrations higher than 1 mol/l.

Water structure and electron trapping in aqueous ionic solutions

2002 ◽  
Vol 28 (6) ◽  
pp. 537-549 ◽  
Author(s):  
M. Wolszczak ◽  
M. Wypych ◽  
M. Tomczyk ◽  
J. Kroh
Keyword(s):  
Water Structure ◽  
Electron Trapping ◽  
Ionic Solutions ◽  
Aqueous Ionic Solutions

Electronic/Ionic Conductivity and Oxygen Diffusion Coefficient af the Sr-Fe-Co-O System

1995 ◽  
Vol 393 ◽  
Author(s):  
B. Ma ◽  
J.-H. Park ◽  
C. U. Segre ◽  
U. Balachandran
Keyword(s):  
Diffusion Coefficient ◽  
Ionic Conductivity ◽  
Oxygen Diffusion ◽  
Ionic Conductivities ◽  
Transference Number ◽  
Transference Numbers ◽  
Oxygen Diffusion Coefficient ◽  
Ionic Transference Number ◽  
Local Fitting ◽  
Oxide Ion

ABSTRACTOxides in the Sr-Fe-Co-O system exhibit both electronic and ionic conductivities. Recently, the Sr-Fe-Co-O system attracted great attention because of its potential to be used for oxygen-permeable membranes that can operate without electrodes or external electrical circuitry. Electronic and ionic conductivities of two compositions of the Sr-Fe-Co-O system, named SFC-1 and SFC-2, have been measured at various temperatures. The electronic transference number is much greater than the ionic transference number in SFC-1, whereas the electronic and ionic transference numbers are very similar in SFC-2. At 800°C, the electronic and ionic conductivities are ≈76 and ≈4 S•cm−1, respectively, for SFC-1; whereas, for SFC-2, the electronic and ionic conductivities are ≈10 and ∼1 S•cm−1, respectively. By performing a local fitting to the equation σ • T = Aexp(-Ea / kT), we found that the oxide ion activation energies are 0.92 and 0.37 eV, respectively, for SFC-1 and SFC-2. The oxygen diffusion coefficient of SFC-2 is ≈ 9 x 10−7cm2/sec at 900°C.

Dielectric Properties of Aqueous Ionic Solutions. Parts I and II

1948 ◽  
Vol 16 (1) ◽  
pp. 1-21 ◽  
Author(s):  
J. B. Hasted ◽  
D. M. Ritson ◽  
C. H. Collie
Keyword(s):  
Dielectric Properties ◽  
Ionic Solutions ◽  
Aqueous Ionic Solutions

Structural Disorder in Supercritical Aqueous Ionic Solutions as seen by MD-EXAFS

2002 ◽  
Vol 22 (2) ◽  
pp. 399-401 ◽  
Author(s):  
G. Ferlat ◽  
A. San Miguel ◽  
J. C. Soetens ◽  
Ph. A. Bopp
Keyword(s):  
Structural Disorder ◽  
Ionic Solutions ◽  
Aqueous Ionic Solutions
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