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Statements

Subject Item
n2:RIV%2F60461373%3A22310%2F08%3A00020063%21RIV09-MSM-22310___
rdf:type
skos:Concept n17:Vysledek
dcterms:description
Behaviour of iodine fission product is of prime importance for short term radiological consequences in a severe accident occurring on a pressurized water nuclear reactor. Iodine speciation in the reactor coolant system (RCS) is commonly predicted with severe accident simulation software devoted to the transport and deposition of fission products and structural materials, as for instance SOPHAEROS module of ASTEC. In these calculation tools, chemical equilibrium is assumed to be reached instantaneously whatever the conditions are. However, some thermodynamic data are still uncertain due do lack of experimental data. Quantum chemical calculations can be an appropriate tool to estimate equilibrium constants in a first step and maybe later to determine some kinetic constants for further implementation in such kind of codes to better assess iodine chemical behaviour. This paper is an attempt to calculate some equilibrium reactions for relevant reactions which are susceptible to impact iodine chemistry. Th ab initio; termodynamický model, hlinitá skla Behaviour of iodine fission product is of prime importance for short term radiological consequences in a severe accident occurring on a pressurized water nuclear reactor. Iodine speciation in the reactor coolant system (RCS) is commonly predicted with severe accident simulation software devoted to the transport and deposition of fission products and structural materials, as for instance SOPHAEROS module of ASTEC. In these calculation tools, chemical equilibrium is assumed to be reached instantaneously whatever the conditions are. However, some thermodynamic data are still uncertain due do lack of experimental data. Quantum chemical calculations can be an appropriate tool to estimate equilibrium constants in a first step and maybe later to determine some kinetic constants for further implementation in such kind of codes to better assess iodine chemical behaviour. This paper is an attempt to calculate some equilibrium reactions for relevant reactions which are susceptible to impact iodine chemistry. Th
dcterms:title
Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions Kvantově-chemické výpočty rovnovážných konstant směsi štěpných produktů v nosném plynu při vážné nehodě Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions
skos:prefLabel
Kvantově-chemické výpočty rovnovážných konstant směsi štěpných produktů v nosném plynu při vážné nehodě Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions
skos:notation
RIV/60461373:22310/08:00020063!RIV09-MSM-22310___
n3:aktivita
n7:P n7:Z
n3:aktivity
P(GA104/06/0202), Z(MSM6046137302)
n3:cisloPeriodika
2
n3:dodaniDat
n9:2009
n3:domaciTvurceVysledku
n4:5366992 n4:6588646
n3:druhVysledku
n18:J
n3:duvernostUdaju
n13:S
n3:entitaPredkladatele
n15:predkladatel
n3:idSjednocenehoVysledku
391278
n3:idVysledku
RIV/60461373:22310/08:00020063
n3:jazykVysledku
n19:eng
n3:klicovaSlova
severe accidents; iodine chemistry; RCS; quantum-chemical calculations; DFT
n3:klicoveSlovo
n10:iodine%20chemistry n10:DFT n10:quantum-chemical%20calculations n10:severe%20accidents n10:RCS
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[CF86001D2C64]
n3:nazevZdroje
Nuclear Technology
n3:obor
n6:DL
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
5
n3:projekt
n16:GA104%2F06%2F0202
n3:rokUplatneniVysledku
n9:2008
n3:svazekPeriodika
163
n3:tvurceVysledku
Macháček, Jan Cantrel, Laurent Kluvánek, Peter Gedeon, Ondřej Liška, Marek
n3:wos
000257932600004
n3:zamer
n14:MSM6046137302
s:issn
0029-5450
s:numberOfPages
7
n11:organizacniJednotka
22310