Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F08%3A00020063" target="_blank" >RIV/60461373:22310/08:00020063 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions
Original language 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 iodin
Czech name
Kvantově-chemické výpočty rovnovážných konstant směsi štěpných produktů v nosném plynu při vážné nehodě
Czech description
ab initio; termodynamický model, hlinitá skla
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
DL - Nuclear waste, radioactive pollution and control
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA104%2F06%2F0202" target="_blank" >GA104/06/0202: Changes in structure and properties of silicate glass surface irradiated with electrons</a><br>
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2008
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Nuclear Technology
ISSN
0029-5450
e-ISSN
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Volume of the periodical
163
Issue of the periodical within the volume
2
Country of publishing house
US - UNITED STATES
Number of pages
7
Pages from-to
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UT code for WoS article
000257932600004
EID of the result in the Scopus database
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