Ab initio study of the trapping of polonium on noble metals

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Ab initio study of the trapping of polonium on noble metals. / Rijpstra, Kim; Deyne, Andy Van Yperen-De; Maugeri, Emilio Andrea; Neuhausen, Jorg; Waroquier, Michel; Speybroeck, Veronique Van; Cottenier, Stefaan.

In: Journal of Nuclear Materials, Vol. 472, 29.01.2016, p. 35-42.

Research output: Contribution to journalArticlepeer-review

Harvard

Rijpstra, K, Deyne, AVY-D, Maugeri, EA, Neuhausen, J, Waroquier, M, Speybroeck, VV & Cottenier, S 2016, 'Ab initio study of the trapping of polonium on noble metals', Journal of Nuclear Materials, vol. 472, pp. 35-42. https://doi.org/10.1016/j.jnucmat.2016.01.026

APA

Rijpstra, K., Deyne, A. V. Y-D., Maugeri, E. A., Neuhausen, J., Waroquier, M., Speybroeck, V. V., & Cottenier, S. (2016). Ab initio study of the trapping of polonium on noble metals. Journal of Nuclear Materials, 472, 35-42. https://doi.org/10.1016/j.jnucmat.2016.01.026

Vancouver

Rijpstra K, Deyne AVY-D, Maugeri EA, Neuhausen J, Waroquier M, Speybroeck VV et al. Ab initio study of the trapping of polonium on noble metals. Journal of Nuclear Materials. 2016 Jan 29;472:35-42. https://doi.org/10.1016/j.jnucmat.2016.01.026

Author

Rijpstra, Kim ; Deyne, Andy Van Yperen-De ; Maugeri, Emilio Andrea ; Neuhausen, Jorg ; Waroquier, Michel ; Speybroeck, Veronique Van ; Cottenier, Stefaan. / Ab initio study of the trapping of polonium on noble metals. In: Journal of Nuclear Materials. 2016 ; Vol. 472. pp. 35-42.

Bibtex - Download

@article{d81d627d0aa04ed688f97f381a40c400,
title = "Ab initio study of the trapping of polonium on noble metals",
abstract = "In the future MYRRHA reactor, lead bismuth eutectic (LBE) will be used both as coolant and as spallation target. Due to the high neutron flux a small fraction of the bismuth will transmute to radiotoxic 210Po. Part of this radiotoxic element will evaporate into the gas above the coolant. Extracting it from the gas phase is necessary to ensure a safe handling of the reactor. An issue in the development of suitable filters is the lack of accurate knowledge on the chemical interaction between a candidate filter material and either elemental polonium or polonium containing molecules. Experimental work on this topic is complicated by the high radiotoxicity of polonium. Therefore, we present in this paper a first-principles study on the adsorption of polonium on noble metals as filter materials. The adsorption of monoatomic Po is considered on the candidate filter materials palladium, platinum, silver and gold. The case of the gold filter is looked upon in more detail by examining how bismuth pollution affects its capability to capture polonium and by studying the adsorption of the heavy diatomic molecules Po2, PoBi and PoPb on this gold filter.",
keywords = "MYRRHA, LBE, Adsorption, Ab-initio, Polonium",
author = "Kim Rijpstra and Deyne, {Andy Van Yperen-De} and Maugeri, {Emilio Andrea} and Jorg Neuhausen and Michel Waroquier and Speybroeck, {Veronique Van} and Stefaan Cottenier",
note = "Score=10",
year = "2016",
month = jan,
day = "29",
doi = "10.1016/j.jnucmat.2016.01.026",
language = "English",
volume = "472",
pages = "35--42",
journal = "Journal of Nuclear Materials",
issn = "0022-3115",
publisher = "Elsevier",

}

RIS - Download

TY - JOUR

T1 - Ab initio study of the trapping of polonium on noble metals

AU - Rijpstra, Kim

AU - Deyne, Andy Van Yperen-De

AU - Maugeri, Emilio Andrea

AU - Neuhausen, Jorg

AU - Waroquier, Michel

AU - Speybroeck, Veronique Van

AU - Cottenier, Stefaan

N1 - Score=10

PY - 2016/1/29

Y1 - 2016/1/29

N2 - In the future MYRRHA reactor, lead bismuth eutectic (LBE) will be used both as coolant and as spallation target. Due to the high neutron flux a small fraction of the bismuth will transmute to radiotoxic 210Po. Part of this radiotoxic element will evaporate into the gas above the coolant. Extracting it from the gas phase is necessary to ensure a safe handling of the reactor. An issue in the development of suitable filters is the lack of accurate knowledge on the chemical interaction between a candidate filter material and either elemental polonium or polonium containing molecules. Experimental work on this topic is complicated by the high radiotoxicity of polonium. Therefore, we present in this paper a first-principles study on the adsorption of polonium on noble metals as filter materials. The adsorption of monoatomic Po is considered on the candidate filter materials palladium, platinum, silver and gold. The case of the gold filter is looked upon in more detail by examining how bismuth pollution affects its capability to capture polonium and by studying the adsorption of the heavy diatomic molecules Po2, PoBi and PoPb on this gold filter.

AB - In the future MYRRHA reactor, lead bismuth eutectic (LBE) will be used both as coolant and as spallation target. Due to the high neutron flux a small fraction of the bismuth will transmute to radiotoxic 210Po. Part of this radiotoxic element will evaporate into the gas above the coolant. Extracting it from the gas phase is necessary to ensure a safe handling of the reactor. An issue in the development of suitable filters is the lack of accurate knowledge on the chemical interaction between a candidate filter material and either elemental polonium or polonium containing molecules. Experimental work on this topic is complicated by the high radiotoxicity of polonium. Therefore, we present in this paper a first-principles study on the adsorption of polonium on noble metals as filter materials. The adsorption of monoatomic Po is considered on the candidate filter materials palladium, platinum, silver and gold. The case of the gold filter is looked upon in more detail by examining how bismuth pollution affects its capability to capture polonium and by studying the adsorption of the heavy diatomic molecules Po2, PoBi and PoPb on this gold filter.

KW - MYRRHA

KW - LBE

KW - Adsorption

KW - Ab-initio

KW - Polonium

UR - http://ecm.sckcen.be/OTCS/llisapi.dll/open/19572374

U2 - 10.1016/j.jnucmat.2016.01.026

DO - 10.1016/j.jnucmat.2016.01.026

M3 - Article

VL - 472

SP - 35

EP - 42

JO - Journal of Nuclear Materials

JF - Journal of Nuclear Materials

SN - 0022-3115

ER -

ID: 1423013