About: Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions

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About: Quantum-chemical calculations of the equilibrium constants of a fission-product mixture in a steam-hydrogen carrier gas in severe accident conditions 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	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	P Z
http://linked.open...avai/riv/aktivity	P(GA104/06/0202), Z(MSM6046137302)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Macháček, Jan Gedeon, Ondrej
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	391278
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/08:00020063
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	severe accidents; iodine chemistry; RCS; quantum-chemical calculations; DFT (en)
http://linked.open.../riv/klicoveSlovo	quantum-chemical calculations severe accidents DFT RCS iodine chemistry
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	DL
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (xsd:int)
http://linked.open...vavai/riv/projekt	Changes in structure and properties of silicate glass surface irradiated with electrons
http://linked.open...UplatneniVysledku	2008
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	Preparation and research of functional materials and material technologies using micro- and nanoscopic methods
issn	0029-5450
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	22310

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