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Description
  • ab initio; termodynamický model, hlinitá skla (cs)
  • 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
  • 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 (en)
Title
  • 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 (en)
  • Kvantově-chemické výpočty rovnovážných konstant směsi štěpných produktů v nosném plynu při vážné nehodě (cs)
skos:prefLabel
  • 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 (en)
  • Kvantově-chemické výpočty rovnovážných konstant směsi štěpných produktů v nosném plynu při vážné nehodě (cs)
skos:notation
  • RIV/60461373:22310/08:00020063!RIV09-MSM-22310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA104/06/0202), Z(MSM6046137302)
http://linked.open...iv/cisloPeriodika
  • 2
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 391278
http://linked.open...ai/riv/idVysledku
  • RIV/60461373:22310/08:00020063
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • severe accidents; iodine chemistry; RCS; quantum-chemical calculations; DFT (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • US - Spojené státy americké
http://linked.open...ontrolniKodProRIV
  • [CF86001D2C64]
http://linked.open...i/riv/nazevZdroje
  • Nuclear Technology
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 163
http://linked.open...iv/tvurceVysledku
  • Liška, Marek
  • Macháček, Jan
  • Gedeon, Ondřej
  • Cantrel, Laurent
  • Kluvánek, Peter
http://linked.open...ain/vavai/riv/wos
  • 000257932600004
http://linked.open...n/vavai/riv/zamer
issn
  • 0029-5450
number of pages
http://localhost/t...ganizacniJednotka
  • 22310
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