Iodine–paint interactions during nuclear reactor severe accidents

Bosland, L.; Dickinson, S.; Glowa, Glenn A.; Herranz, L.E.; Kim, H. C.; Powers, D.A.; Salay, Michael; Tietze, Sabrina

doi:10.1016/j.anucene.2014.07.016

Cited by 31 publications

(12 citation statements)

References 51 publications

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“…Iodine can exist in gaseous forms such as I 2 and volatile organic iodides, produced by reactions between organics and molecular iodine and/or interactions with paints …”

Section: Introductionmentioning

confidence: 99%

A theoretical study of the microhydration processes of iodine nitrogen oxides

Villard

Khanniche

Fortin

et al. 2018

Int J of Quantum Chemistry

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This work reports for the first time the structures and the thermodynamics of the microhydrates of iodine nitrogen oxides (INO x ). Monohydrates and dihydrates were investigated for five different INO x species (INO, INO 2 , cis-IONO, trans-IONO, and IONO 2 ). The structures of the water complexes were characterized at the ωB97XD/aug-cc-pVTZ level of theory. Coupled-cluster calculations were performed with the ANO-RCC-VQZP basis sets. Standard reaction enthalpy and standard Gibbs free reaction energy (Δ r G 298 K ) were computed for all aggregates. The variation of Δ r G[T] as a function of temperature reveals that only IONO 2 will be hydrated at tropospheric temperatures (T < 270 K). Its dihydration reaction remains a favored process in the same conditions. All INO x species will not be hydrated in gas phase in the containment building of a pressurized water reactor for which temperatures are greater than 400 K.

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“…Iodine can exist in gaseous forms such as I 2 and volatile organic iodides, produced by reactions between organics and molecular iodine and/or interactions with paints …”

Section: Introductionmentioning

confidence: 99%

A theoretical study of the microhydration processes of iodine nitrogen oxides

Villard

Khanniche

Fortin

et al. 2018

Int J of Quantum Chemistry

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“…Volatile iodine species include molecular iodine and organic iodides, which result from the reactivity of iodine with residual paint solvents. 12 Once released into the containment atmosphere, the gaseous species will be subject to radiolytic reactions, leading to their conversion into iodine oxides. 4−7 Despite the importance of iodous acid (HOIO) in atmospheric and nuclear chemistry, computational studies on HIO 2 species are scarce and it is only very recently that experimental evidence of iodous acid in the gas phase has been reported in the literature.…”

Section: Introductionmentioning

confidence: 99%

“…131 I is a short-lived, highly radioactive fission product that can leak through the reactor coolant system of a PWR, into the containment, and further possibly escape into the environment. Volatile iodine species include molecular iodine and organic iodides, which result from the reactivity of iodine with residual paint solvents . Once released into the containment atmosphere, the gaseous species will be subject to radiolytic reactions, leading to their conversion into iodine oxides. − …”

Section: Introductionmentioning

confidence: 99%

Thermochemistry of HIO₂ Species and Reactivity of Iodous Acid with OH Radical: A Computational Study

Khanniche

Louis

Cantrel

et al. 2017

ACS Earth Space Chem.

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This paper reports computations of thermochemical properties [Δf H 298 K °, S 298 K °, and C p = f(T)] of HIO2 isomers (HOOI and HOIO) together with the kinetic parameters of the gas-phase HOIO + OH reaction. The calculations are performed using the CCSD(T) method on structures previously optimized at the B3LYP/aug-cc-pVTZ level of theory. Spin–orbit coupling is computed by employing the CASSCF/CASPT2/RASSI scheme. The standard enthalpies of formation at 298 K are equal to −24.8 ± 0.9 and 18.7 ± 0.4 kJ mol–1 for HOIO and HOOI, respectively. The H- and O(H)-abstraction pathways are considered for the reaction of iodous acid (HOIO) with OH. Our calculations reveal that the H-abstraction channel was exergonic by −135 kJ mol–1 at 298 K. The rate constants were computed as a function of the temperature (250–2500 K) using classical and variational transition state theory. At the CCSD(T)/CBS level, the rate constants are (in cm3 molecule–1 s–1): k Habs(T) = 2.22 × 10–19 T 1.83 exp[−4.9 (kJ mol–1)/RT] and k OHabs(T) = 7.73 × 10–21 T 2.66 exp[−70.2 (kJ mol–1)/RT]. The HOIO + OH overall reaction is significantly dominated by the HOIO + OH → OIO + H2O channel for tropospheric temperatures. The atmospheric lifetime of HOIO is estimated to be approximately 64 years. Thermochemical properties and kinetic parameters derived from this study can be used as input parameters in chemistry-transport models, for which iodine is important in the case of radioactive airbone species released for a severe accident occurring to nuclear power plants.

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“…On the one hand, some studies based on theoretical ab initio calculations in order to identify the most likely reactions pathways and the most stable compounds formed from I 2 and epoxy paint were performed at 373 K [51]. These results showed that the reaction of I 2 on the polymer would mainly take place on aminoalcohol functions and more precisely on the carbon located between amine and alcohol groups.…”

Section: Modification Of Mir Spectra After Loading Of Epoxy-paint Sammentioning

confidence: 99%

A FTIR/chemometrics approach to characterize the gamma radiation effects on iodine/epoxy-paint interactions in Nuclear Power Plants

Colombani

Chauvet

Amat

et al. 2017

Analytica Chimica Acta

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The effects of radiation on polymeric materials are a topic of concern in a wide range of industries including the sterilization, and the nuclear power industry. While much work has concentrated on systems like polyolefins that are radiation sterilized, some work has been done on epoxy systems. The epoxy system studied is an epoxy/amine paint which is representative of the paint that covers the inner surfaces of the French nuclear reactor containment buildings. In case of a severe accident on a Nuclear Power Plant, fission products can be released from the nuclear fuel to the reactor containment building. Among them, volatile iodine (I) can be produced and can interact with the epoxy-paint. This paint is also subjected to gamma radiation damages (due to the high dose in the containment coming from radionuclides released from the fuel). So the epoxy-paint studied was exposed to gamma radiation under air atmosphere after being loaded with I or not. The aim of this study is to characterize by FTIR spectroscopy the iodine-paint interactions, then to identify the radiation damages on the epoxy-paint, and to check their effects on these iodine-paint interactions. This work shows the potential of multi-block analysis method (ANOVA-PCA and COMDIM = AComDim) for such a study as it allows to identify the nature of iodine/epoxy-paint interactions and to characterize the gamma radiation damages on the epoxy-paint. AComDim method conduces to the extraction of Common Components to different tables and highlights factors of influence and their interactions.

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Iodine–paint interactions during nuclear reactor severe accidents

Cited by 31 publications

References 51 publications

A theoretical study of the microhydration processes of iodine nitrogen oxides

A theoretical study of the microhydration processes of iodine nitrogen oxides

Thermochemistry of HIO₂ Species and Reactivity of Iodous Acid with OH Radical: A Computational Study

A FTIR/chemometrics approach to characterize the gamma radiation effects on iodine/epoxy-paint interactions in Nuclear Power Plants

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Iodine–paint interactions during nuclear reactor severe accidents

Cited by 31 publications

References 51 publications

A theoretical study of the microhydration processes of iodine nitrogen oxides

A theoretical study of the microhydration processes of iodine nitrogen oxides

Thermochemistry of HIO2 Species and Reactivity of Iodous Acid with OH Radical: A Computational Study

A FTIR/chemometrics approach to characterize the gamma radiation effects on iodine/epoxy-paint interactions in Nuclear Power Plants

Contact Info

Product

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Thermochemistry of HIO₂ Species and Reactivity of Iodous Acid with OH Radical: A Computational Study