Recent advances on containment iodine chemistry

Dickinson, S.; Andreo, F.; Kärkelä, Teemu; Ball, J. M.; Bosland, L.; Cantrel, Laurent; Funke, F.; Girault, N.; Holm, Joachim; Guilbert, S.; Herranz, L.E.; Housiadas, C.; Ducros, G.; Mun, Christian; Sabroux, J.-C.; Weber, G.

doi:10.1016/j.pnucene.2009.09.009

Cited by 16 publications

(1 citation statement)

References 9 publications

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“…The iodine fission product is emitted from the uranium damaged fuel, transported through the reactor coolant system (RCS) and next reaches, via the break, the nuclear containment building. From a safety point of view, iodine is extensively studied due to its high ability to form volatile compounds , which can be released and transported outside in the case of containment building leakages.…”

Section: Introductionmentioning

confidence: 99%

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (³P)) and Iodine Atoms (²P_3/2)

et al. 2011

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The rate constants of the reactions of HOI molecules with H, OH, O ((3)P), and I ((2)P(3/2)) atoms have been estimated over the temperature range 300-2500 K using four different levels of theory. Geometry optimizations and vibrational frequency calculations are performed using MP2 methods combined with two basis sets (cc-pVTZ and 6-311G(d,p)). Single-point energy calculations are performed with the highly correlated ab initio coupled cluster method in the space of single, double, and triple (pertubatively) electron excitations CCSD(T) using the cc-pVTZ, cc-pVQZ, 6-311+G(3df,2p), and 6-311++G(3df,3pd) basis sets. Reaction enthalpies at 0 K were calculated at the CCSD(T)/cc-pVnZ//MP2/cc-pVTZ (n = T and Q), CCSD(T)/6-311+G(3df,2p)//MP2/6-311G(d,p), and CCSD(T)/6-311++G(3df,3pd)//MP2/6-311G(d,p) levels of theory and compared to the experimental values taken from the literature. Canonical transition-state theory with an Eckart tunneling correction is used to predict the rate constants as a function of temperature. The computational procedure has been used to predict rate constants for H-abstraction elementary reactions because there are actually no literature data to which the calculated rate constants can be directly compared. The final objective is to implement kinetics of gaseous reactions in the ASTEC (accident source term evaluation code) program to improve speciation of fission products, which can be transported along the reactor coolant system (RCS) of a pressurized water reactor (PWR) in the case of a severe accident.

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Section: Introductionmentioning

confidence: 99%

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (³P)) and Iodine Atoms (²P_3/2)

et al. 2011

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Study of iodine releases from epoxy and polyurethane paints under irradiation and development of a new model of iodine-Epoxy paint interactions for PHEBUS and PWR severe accident applications

Bosland

Colombani

2017

J Radioanal Nucl Chem

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Concentration determination of I2 and I− formed by thermal and radiolytic decomposition of NaIO3

Kim

Yeon

2021

J Radioanal Nucl Chem

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Recent advances on containment iodine chemistry

Cited by 16 publications

References 9 publications

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (³P)) and Iodine Atoms (²P_3/2)

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (³P)) and Iodine Atoms (²P_3/2)

Study of iodine releases from epoxy and polyurethane paints under irradiation and development of a new model of iodine-Epoxy paint interactions for PHEBUS and PWR severe accident applications

Concentration determination of I2 and I− formed by thermal and radiolytic decomposition of NaIO3

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Recent advances on containment iodine chemistry

Cited by 16 publications

References 9 publications

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (3P)) and Iodine Atoms (2P3/2)

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (3P)) and Iodine Atoms (2P3/2)

Study of iodine releases from epoxy and polyurethane paints under irradiation and development of a new model of iodine-Epoxy paint interactions for PHEBUS and PWR severe accident applications

Concentration determination of I2 and I− formed by thermal and radiolytic decomposition of NaIO3

Contact Info

Product

Resources

About

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (³P)) and Iodine Atoms (²P_3/2)

A Theoretical Study of the H-Abstraction Reactions from HOI by Moist Air Radiolytic Products (H, OH, and O (³P)) and Iodine Atoms (²P_3/2)