Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F01%3A27013080" target="_blank" >RIV/67985858:_____/01:27013080 - isvavai.cz</a>
Result on the web
—
DOI - Digital Object Identifier
—
Alternative languages
Result language
angličtina
Original language name
Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3.
Original language description
Molten LiI/AlCl3 with different molar ratios of LiI to AlCl3 were prepared and characterized by Raman spectroscopy, thermal analysis, and impedance measurements. The LiI/AlCl3 adducts melt at 70-80 oC and the Raman spectrum indicates that a variety of haloaluminates exist in the system. The 1:1 adduct has the highest ionic conductivity, 2e-6 S/cm at 25 oC, and the conductivity increases dramatically as the temperature is increased. Molecular dynamics simulations suggest that several haloaluminates are present in the adducts. Ab initio calculations were carried out on the species that were predicted by MD simulations and these results were compared with Raman spectra, and good agreement was obtained. Several ns long MD simulations allowed us to study the conductivity and relaxation processes in the 1:1 and 1=:2 melts at higher temperatures.
Czech name
—
Czech description
—
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
—
Result continuities
Project
—
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
—
Volume of the periodical
114
Issue of the periodical within the volume
22
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
9998-10009
UT code for WoS article
—
EID of the result in the Scopus database
—