A review of fission product sorption in carbon structures

Londoño-Hurtado, Alejandro; Szlufarska, Izabela; Bratton, Robert L.; Morgan, Dane

doi:10.1016/j.jnucmat.2012.02.019

Cited by 21 publications

(9 citation statements)

References 20 publications

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“…Ag, Cs, and Sr, can be released from fuel particles at extreme condition [3]. The metallic fission products diffused from the TRISO particle will be adsorbed in the carbon matrix of pebble fuel or in the carbon dust, which leads to radioactive pollution in cooling loop of the reactor [4][5][6]. Therefore, it is of critical importance to understand the behaviors of metallic fission products on graphite and to evaluate the release of radioactive nuclides during the operation of nuclear reactor.…”

Section: Introductionmentioning

confidence: 99%

Theoretical study of the interaction between metallic fission products and defective graphite

Xia

Ren

Zhang

et al. 2015

Computational Materials Science

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Section: Introductionmentioning

confidence: 99%

Theoretical study of the interaction between metallic fission products and defective graphite

Xia

Ren

Zhang

et al. 2015

Computational Materials Science

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“…However, defects of the nuclear graphite are inevitable and widespread under neutron irradiation. 2,[15][16][17] These defects normally distribute near graphite surfaces 16,18 and introduce chemical reactivity around them, where the behaviors of metallic fission products are very different from that on the pristine area. 3,6,16 The defects on graphite surfaces are already suggested to play an important role in immobilizing the gaseous fission products, due to the high binding energies.…”

Section: Introductionmentioning

confidence: 99%

“…2,[15][16][17] These defects normally distribute near graphite surfaces 16,18 and introduce chemical reactivity around them, where the behaviors of metallic fission products are very different from that on the pristine area. 3,6,16 The defects on graphite surfaces are already suggested to play an important role in immobilizing the gaseous fission products, due to the high binding energies. 3,6,16 Therefore, for the sake of reactor design and environmental safety, the defects will certainly need to be taken into account, in order to get more detailed insight into the behavior and influence of radioactive actinide products (such as evaporated uranium carbide molecules) on neutron-irradiated graphite.…”

Section: Introductionmentioning

confidence: 99%

Defect-induced strong localization of uranium dicarbide on the graphene surface

Han

Dai

Meng

et al. 2014

Phys. Chem. Chem. Phys.

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Defects such as the most stable hexavacancy (V6) distribute widely on neutron-irradiated graphite surfaces, which play a dominant role in immobilizing radioactive products released from nuclear fuels. By performing DFT calculations, we explore the interaction of gaseous uranium dicarbide (UC2) molecules on a graphene nanosheet with a V6 defect, in order to investigate the behavior of the representative vapor species of uranium carbide fuels in reactor cores. Results suggest that UC2 can be trapped in the V6 defect with considerable binding energy of >10 eV, with all the six dangling bonds of the V6 defect being saturated by UC2. Bonding nature analyses also reveal that the U-C interaction lies in the synergistic interplay between electrostatic and covalent interaction with extensive participation of U valence electrons from 5f to 7p orbitals, which further stimulate polarization of semi-core 6p orbitals and their subsequent contributions to the bonding. This strong interaction leads to a favorable binding of UC2 to the defective graphite surface, which reduces the capability of nuclear graphite to retain harmful fission products by the vacancies being filled with UC2. These findings highlight substantial chemical reactivity and strong localization of UC2 on the widespread V6 defects in nuclear graphite, and may provide an important reference in establishing modern nuclear reactor safety at the atomic level.

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“…In the past few decades, the adsorption behavior of fission products on carbon materials has been widely studied. Some key parameters of carbon materials, such as atomic structures, sp2-to-sp3 bonding ratio, defect structures, percent of amorphous structures, and porosity, may play a dominant role in fission product sorption [10]. e manufacturing methods, as well as the precursors employed, have an influence on the structure parameters of carbon materials.…”

Section: Introductionmentioning

confidence: 99%

DFT Study of Cs/Sr/Ag Adsorption on Defective Matrix Graphite

Jiao

Chen

Fang

et al. 2020

Science and Technology of Nuclear Installations

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The geometries, adsorption energies, and electronic structures of Cs, Sr, and Ag atoms on matrix graphite surface with point defects were calculated and analyzed using the density functional theory (DFT) and the Perdew–Burke–Ernzerhof (PBE) formulation of the generalized gradient approximation (GGA). Three different types of point defects, i.e., single vacancy and “bridge” and “spiro” interstitials are considered using approximate van der Waals (vdW) correction methods. The results of adsorption energies show that the metal fission products of Cs, Sr, and Ag are more stable on single vacancy defects than “bridge” or “spiro” interstitial defects. This is further confirmed by the analysis of electronic structures, such as charge density difference (CDD) and density of state (DOS). All these results indicate that dangling bonds play an important role in the adsorption behaviors of metallic fission products on matrix graphite.

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A review of fission product sorption in carbon structures

Cited by 21 publications

References 20 publications

Theoretical study of the interaction between metallic fission products and defective graphite

Theoretical study of the interaction between metallic fission products and defective graphite

Defect-induced strong localization of uranium dicarbide on the graphene surface

DFT Study of Cs/Sr/Ag Adsorption on Defective Matrix Graphite

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