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Pressurized water reactor spent nuclear fuel data library produced with the Serpent2 code.

ABSTRACT: The paper describes a data library containing material composition of spent nuclear fuel. The data is extracted from burnup and depletion calculations with the Serpent2 code. The simulations were done with a PWR fuel pin cell geometry, for both initial UO2 and MOX fuel load for a wide range of initial enrichments (IE) or initial plutonium content (IPC), discharge burnup (BU) and cooling time (CT). The fuel library contains the atomic density of 279 nuclides (fission products and actinides), the total spontaneous fission rate, total photon emission rate, activity and decay heat at 789,406 different BU, CT, IE configurations for UO2 fuel and at 531,991 different BU, CT, IPC configurations for MOX fuel. The fuel library is organized in a publicly available comma separated value file, thus its further analysis is possible and simple.

SUBMITTER: Elter Z

PROVIDER: S-EPMC7588691 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature

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Pressurized water reactor spent nuclear fuel data library produced with the Serpent2 code.

Elter Zsolt Z Balkeståhl Li Pöder LP Branger Erik E Grape Sophie S

Data in brief 20201020

The paper describes a data library containing material composition of spent nuclear fuel. The data is extracted from burnup and depletion calculations with the Serpent2 code. The simulations were done with a PWR fuel pin cell geometry, for both initial UO<sub>2</sub> and MOX fuel load for a wide range of initial enrichments (IE) or initial plutonium content (IPC), discharge burnup (BU) and cooling time (CT). The fuel library contains the atomic density of 279 nuclides (fission products and actin ...[more]

PMID: 33134449

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Project description:This paper describes the creation and description of a nuclear fuel isotopics dataset for irradiated fuel salt from a Molten Salt Reactor (MSR). The dataset has been created using simulations carried out using the Monte-Carlo particle transport code, Serpent 2.1.32 (released February 24, 2021) and the calculation code SOURCES 4C (released October 09, 2002) for computing properties of irradiated molten fuel salt. The dataset comprises isotopic mass densities of 1362 isotopes (including fission products and major and minor actinides) and their corresponding contributions to decay heat, gamma activity, and spontaneous fission rates computed by Serpent 2.1.32 as well as overall neutron emission rates from spontaneous fission and (ɑ, n) reactions computed by SOURCES 4C. These quantities are computed for a model MSR core utilizing a full-core 3D model of the Seaborg Compact Molten Salt Reactor (CMSR). The dataset spans a wide range of values of burnup (BU), initial enrichment (IE) and cooling time (CT) over which the above-mentioned quantities are reported. The structure of the dataset includes isotopic mass densities (in g/cm3), followed by isotope-wise contributions to decay heat (denoted by suffix '_DH' and reported in Watts), gamma photon emission rates (denoted by suffix '_GS' and reported photons per second), and spontaneous fission rates (denoted by suffix '_SF' and reported in fissions per second). In addition to these columns, the data also includes total neutron emission rates from 1) spontaneous fission (denoted by 'SF' and reported in neutrons per second per cm3), and 2) (ɑ, n) reactions (denoted by 'AN' and reported in neutrons per second per cm3). In total, the dataset has 310,575 rows of different combinations of fuel burnup, initial enrichment, and cooling time (BIC) values spanning the realistic possible range of these parameters. The dataset is made available for public use in a comma-separated value file that can be easily read using one of the numerous popular data analysis tools such as NumPy or Pandas.

Project description:Water quality is an important determinant for the structural integrity of alloy cladded fuels and assemblies during long-term wet storage. Detailed characterization of a water filled storage basin for spent nuclear reactor fuel was performed following the formation and proliferation of an amorphous white flocculent. White precipitant was sampled throughout the storage basin for chemical and spectroscopic characterization, and environmental DNA was extracted for 454 pyrosequencing of bacterial 16S rRNA gene diversity. Accordingly, spectroscopic analyses indicated the precipitant to be primarily amorphous to crystalline aluminum (oxy) hydroxides with minor associated elemental components including Fe, Si, Ti, and U. High levels of organic carbon were co-localized with the precipitant relative to bulk dissolved organic concentrations. Bacterial densities were highly variable between sampling locations and with depth within the water filled storage basin; cell numbers ranged from 4 × 103to 4 × 104 cells/mL. Bacterial diversity that was physically associated with the aluminum (oxy) hydroxide complexes exceeded an estimated 4,000 OTUs/amplicon library (3% cutoff) and the majority of sequences were aligned to the families Burkholderiaceae (23%), Nitrospiraceae (23%), Hyphomicrobiaceae (17%), and Comamonadaceae (6%). We surmise that episodic changes in the physical and chemical properties of the basin contribute to the polymerization of aluminum (oxy) hydroxides, which in turn can chemisorb nutrients, carbon ligands and bacterial cells from the surrounding bulk aqueous phase. As such, these precipitants should establish favorable microhabitats for bacterial colonization and growth. Comparative analyses of 16S rRNA gene amplicon libraries across a selection of natural and engineered aquatic ecosystems were performed and microbial community and taxonomic signatures unique to the spent nuclear fuel (SNF) storage basin environment were revealed. These insights could spur the development of tractable bio-indicators that are specific of and diagnostic for water quality at discrete locations and finer scales of resolution, marking an important contribution for improved water quality and management of SNF storage facilities.

Project description:The challenging issue of spent nuclear fuel (SNF) management is being tackled by developing advanced technologies that point to reduce environmental footprint, long-term radiotoxicity, volumes and residual heat of the final waste, and to increase the proliferation resistance. The advanced recycling strategy provides several promising processes for a safer reprocessing of SNF. Advanced hydrometallurgical processes can extract minor actinides directly from Plutonium and Uranium Reduction Extraction raffinate by using selective hydrophilic and lipophilic ligands. This research is focused on a recently developed N-heterocyclic selective lipophilic ligand for actinides separation to be exploited in advanced Selective ActiNide EXtraction (SANEX)-like processes: 2,6-bis(1-(2-ethylhexyl)-1H-1,2,3-triazol-4-yl)pyridine (PyTri-Ethyl-Hexyl-PTEH). The formation and stability of metal-ligand complexes have been investigated by different techniques. Preliminary studies carried out by electrospray ionization mass spectrometry (ESI-MS) analysis enabled to qualitatively explore the PTEH complexes with La(III) and Eu(III) ions as representatives of lanthanides. Time-resolved laser fluorescence spectroscopy (TRLFS) experiments have been carried out to determine the ligand stability constants with Cm(III) and Eu(III) and to better investigate the ligand complexes involved in the extraction process. The contribution of a 1:3 M/L complex, barely identified by ESI-MS analyses, was confirmed as the dominant species by TRLFS experiments. To shed light on ligand selectivity toward actinides over lanthanides, NMR investigations have been performed on PTEH complexes with Lu(III) and Am(III) ions, thereby showing significant differences in chemical shifts of the coordinating nitrogen atoms providing proof of a different bond nature between actinides and lanthanides. These scientific achievements encourage consideration of this PyTri ligand for a potential large-scale implementation.

Dataset Information

Pressurized water reactor spent nuclear fuel data library produced with the Serpent2 code.

Publications

Pressurized water reactor spent nuclear fuel data library produced with the Serpent2 code.

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