About: Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3.

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About: Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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. 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. (en)
Title	Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3. Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3. (en)
skos:prefLabel	Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3. Molten Salt Electrolytes. I. Experimental and Theoretical Studies of LiI/AlCl3. (en)
skos:notation	RIV/67985858:_____/01:27013080!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	9998;10009
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Kolafa, Jiří
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	687598
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/01:27013080
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	raman spectroscopy; thermal analysis; impendance measurement (en)
http://linked.open.../riv/klicoveSlovo	thermal analysis raman spectroscopy impendance measurement
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[145D26862E5D]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	114
http://linked.open...iv/tvurceVysledku	Kolafa, Jiří Ratner, M. A. Curtiss, L. A. Lee, Y.-C. Shriver, D. F.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0021-9606
number of pages	10 (xsd:int)

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