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JAEA Reports

User manual of NMB4.0

Okamura, Tomohiro*; Nishihara, Kenji; Katano, Ryota; Oizumi, Akito; Nakase, Masahiko*; Asano, Hidekazu*; Takeshita, Kenji*

JAEA-Data/Code 2021-016, 43 Pages, 2022/03


The quantitative prediction and analysis of the future nuclear energy utilization scenarios are required in order to establish the advanced nuclear fuel cycle. However, the nuclear fuel cycle consists of various processes from front- to back-end, and it is difficult to analyze the scenarios due to the complexity of modeling and the variety of scenarios. Japan Atomic Energy Agency and Tokyo Institute of Technology have jointly developed the NMB code as a tool for integrated analysis of mass balance from natural uranium needs to radionuclide migration of geological disposal. This user manual describes how to create a database and scenario input for the NMB version 4.0.

Journal Articles

NMB4.0: Development of integrated nuclear fuel cycle simulator from the front to back-end

Okamura, Tomohiro*; Katano, Ryota; Oizumi, Akito; Nishihara, Kenji; Nakase, Masahiko*; Asano, Hidekazu*; Takeshita, Kenji*

EPJ Nuclear Science & Technologies (Internet), 7, p.19_1 - 19_13, 2021/11

Nuclear Material Balance code version 4.0 (NMB4.0) has been developed through collaborative R&D between Tokyo Institute of Technology and JAEA. Conventional nuclear fuel cycle simulation codes mainly analyze actinides and are specialized for front-end mass balance analysis. However, quantitative back-end simulation has recently become necessary for considering R&D strategies and sustainable nuclear energy utilization. Therefore, NMB4.0 was developed to realize the integrated nuclear fuel cycle simulation from front- to back-end. There are three technical features in NMB4.0: 179 nuclides are tracked, more than any other code, throughout the nuclear fuel cycle; the Okamura explicit method is implemented, which contributes to reducing the numerical cost while maintaining the accuracy of depletion calculations on nuclides with a shorter half-life; and flexibility of back-end simulation is achieved. The main objective of this paper is to show the newly developed functions, made for integrated back-end simulation, and verify NMB4.0 through a benchmark study to show the computational performance.

Journal Articles

Prediction of stability constants for novel chelates design in minor actinides partitioning over lanthanides using density functional theory calculation

Kaneko, Masashi; Sasaki, Yuji; Wada, Eriko*; Nakase, Masahiko*; Takeshita, Kenji*

Chemistry Letters, 50(10), p.1765 - 1769, 2021/10

 Times Cited Count:0 Percentile:0(Chemistry, Multidisciplinary)

Density functional theory calculation is applied to predict the stability constants for Eu$$^{3+}$$ and Am$$^{3+}$$ complexes in aqueous solution for molecular modelling of novel separation agents for minor actinides over lanthanides. Logarithm of experimental stability constants correlates with calculated complex formation enthalpies with high reproducibility (R$$^{2}$$ $$>$$ 0.98). Prediction of stability constants of novel chelates is demonstrated and indicates a potential availability of the derivatives of diethylenetriaminepentaacetic acid type chelate in acidic condition and enhancement of Am$$^{3+}$$ selectivity over Eu$$^{3+}$$.

Journal Articles

Density functional modeling of Am$$^{3+}$$/Eu$$^{3+}$$ selectivity with diethylenetriaminepentaacetic acid and its bisamide chelates.

Kaneko, Masashi; Sasaki, Yuji; Matsumiya, Masahiko*; Nakase, Masahiko*; Takeshita, Kenji*

Journal of Nuclear Science and Technology, 58(5), p.515 - 526, 2021/05

 Times Cited Count:2 Percentile:43.05(Nuclear Science & Technology)

Density-functional theory calculations were applied to molecular structure and complex formation reaction modelings of metal ion complexes with diethylenetriaminepentaacetic acid (DTPA) and its bisamide (DTPABA) chelates to understand the metal ions selectivity between Am$$^{3+}$$ and Eu$$^{3+}$$. The calculated complexes with DTPA and DTPABA chelates reproduced the coordination geometries of experimental crystal structures. Calculated Gibbs free energies of the complex formation reactions indicated that Am$$^{3+}$$ ion forms higher stable complexes with both chelates than Eu$$^{3+}$$ ion, being consistent with the experimental results. The higher Am$$^{3+}$$ selectivity over Eu$$^{3+}$$ was suggested to originate in the larger bond overlap between Am$$^{3+}$$ 5f-orbital and N 2s, 2p-orbital. This mean that the covalent contribution between metal ion and donor atoms differentiates the complex formation stabilities, leading to the Am$$^{3+}$$/Eu$$^{3+}$$ selectivity. We expect that this study contributes to systematize the origin of metal ions selectivity and to accelerate novel ligands exploration.

Journal Articles

Mechanistic study on the removal of Cs from contaminated soil by rapid ion exchange in subcritical water

Fukuda, Tatsuya*; Takahashi, Ryo*; Hara, Takuhi*; Ohara, Koji*; Kato, Kazuo*; Matsumura, Daiju; Inaba, Yusuke*; Nakase, Masahiko*; Takeshita, Kenji*

Journal of Nuclear Science and Technology, 58(4), p.399 - 404, 2021/04

 Times Cited Count:3 Percentile:57.22(Nuclear Science & Technology)

JAEA Reports

Selection of nuclides for mass-balance analysis of fission products

Okamura, Tomohiro*; Oizumi, Akito; Nishihara, Kenji; Nakase, Masahiko*; Takeshita, Kenji*

JAEA-Data/Code 2020-023, 32 Pages, 2021/03


Nuclear Material Balance code (NMB code) have been developed in Japan Atomic Energy Agency. The NMB code will be updated with the function of mass balance analysis at the backend process such as reprocessing, vitrification and geological disposal. In order to perform its analysis with high accuracy, it is necessary to expand the number of FP nuclides calculated in the NMB code. In this study, depletion calculation by ORIGEN code was performed under 3 different burn-up conditions such as spent uranium fuel from light water reactor, and nuclides were selected from 5 evaluation indexes such as mass and heat generation. In addition, the FP nuclides required to configure a simple burnup chain with the same calculation accuracy as ORIGEN in the NMB code was selected. As the result, two lists with different number of nuclides, such as "Detailed list" and a "Simplified list", were created.

Journal Articles

Development of mass balance analysis code for various waste management scenario

Okamura, Tomohiro*; Oizumi, Akito; Nishihara, Kenji; Nakase, Masahiko*; Takeshita, Kenji*

Bulletin of the Laboratory for Advanced Nuclear Energy, 5, P. 31, 2021/02

The Takeshita Laboratory at Tokyo Institute of Technology has started to develop a Nuclear Material Balance code (NMB code) in collaboration with Japan Atomic Energy Agency. This report summarized the results of the joint research conducted in 2019.

Journal Articles

Trichotomic separation of light and heavy lanthanides and Am by batchwise multi-stage extractions using TODGA

Matsumiya, Masahiko*; Tsuchida, Yusuke*; Sasaki, Yuji; Ono, Ryoma*; Nakase, Masahiko*; Takeshita, Kenji*

Journal of Radioanalytical and Nuclear Chemistry, 327(1), p.597 - 607, 2021/01

 Times Cited Count:1 Percentile:23.17(Chemistry, Analytical)

To achieve trichotomic separation of light lanthanides (Ln), heavy Ln, and Am, batchwise multi-stage extractions using tetraoctyl-diglycolamide (TODGA) extractant from organic acids are studied. Malonic acid (MA) has high solubility in water and is used as the main component of the aqueous phase. It is clear that the separation factor (SF) for Nd/Am from MA and that for La/Am from MA + HNO$$_{3}$$ are both around 30. The light Ln (e.g., La and Ce) flowed-out in 1 M MA+0.05 M HNO$$_{3}$$ (1st soln.), Am is recovered into 3 M MA (2nd soln.), and middle and heavy Ln (Nd and other heavy Ln) are back-extracted into 0.1 M TEDGA/water (3rd soln.). This extraction method can give 95% recovery of Am with total Ln of less than 16% present in high-level radioactive waste.

Journal Articles

Extraction and separation between light and heavy lanthanides by $$N,N,N',N'$$-tetraoctyl-diglycolamide from organic acid

Sasaki, Yuji; Matsumiya, Masahiko*; Nakase, Masahiko*; Takeshita, Kenji*

Chemistry Letters, 49(10), p.1216 - 1219, 2020/10

 Times Cited Count:7 Percentile:48.24(Chemistry, Multidisciplinary)

Lanthanide (Ln) extractions from organic acids to $$n$$-dodecane by $$N,N,N',N'$$-tetraoctyl-diglycolamide (TODGA) were conducted. Four organic acids (lactic acid, malonic acid, tartaric acid, and citric acid) were employed. Although these acids stabilize lanthanides in the aqueous phase, a distribution ratio ($$D$$) greater 1 was obtained for heavy Ln. Ln patterns ($$D$$(Ln) against atomic number of Ln) show maximum values of Ho and Er. In order to obtain high $$D$$ values, the addition of HNO$$_{3}$$ in aqueous phase is found to be effective.

Journal Articles

Effects of diluents on the separation of minor actinides from lanthanides with tetradodecyl-1,10-phenanthroline-2,9-diamide from nitric acid medium

Tsutsui, Nao; Ban, Yasutoshi; Suzuki, Hideya*; Nakase, Masahiko*; Ito, Sayumi*; Inaba, Yusuke*; Matsumura, Tatsuro; Takeshita, Kenji*

Analytical Sciences, 36(2), p.241 - 246, 2020/02

 Times Cited Count:7 Percentile:66.01(Chemistry, Analytical)

To investigate the effective separation of actinides (Ans) from lanthanides (Lns), single-stage batch extraction experiments were performed with a novel extractant, tetradodecyl-1,10-phenanthroline-2,9-diamide (TDdPTDA) with various diluents such as 3-nitrobenzotrifluoride (F-3), nitrobenzene, and ${it n}$-dodecane for Am, Cm, and Lns. The extraction kinetics with TDdPTDA was rapid enough to perform the actual extraction flow sheet. The slopes of the distribution ratio versus TDdPTDA concentration and the distribution ratio versus nitric acid concentration were similar for F-3 and nitrobenzene systems but different from ${it n}$-dodecane system. These differences were attributed to the characteristics of the diluents. This study reveals high distribution ratios of Am (${it D}$ $$_{Am}$$) and Cm (${it D}$ $$_{Cm}$$) for TDdPTDA, with the high separation factors (${it SF}$s) of Am from Lns enough for their separation.

Journal Articles

Sorption properties of aluminum hexacyanoferrate for platinum group elements

Mishima, Ria; Inaba, Yusuke*; Tachioka, Sotaro*; Harigai, Miki*; Watanabe, Shinta*; Onoe, Jun*; Nakase, Masahiko*; Matsumura, Tatsuro; Takeshita, Kenji*

Chemistry Letters, 49(1), p.83 - 86, 2020/01

 Times Cited Count:2 Percentile:21.11(Chemistry, Multidisciplinary)

Separation of platinum group metals (PGMs) from high-level liquid waste generated from the reprocessing of spent nuclear fuels is important to produce good quality vitrified glass for final disposal. A new sorbent, Aluminum hexacyanoferrate (AlHCF), was synthesized and the general sorption behavior of PGMs from concentrated nitric acid was examined. Nitric acid caused substantial elution of AlHCF but the sorption of Pd stabilized the structure. Consequently, Rh was sorbed in the presence of Pd, whereas single Rh sorption caused complete dissolution of AlHCF. Relation between sorbed mount of Pd vs eluted Al and Fe revealed that the elution ratio of Al and Fe was not the same as molar ratio of synthesized AlHCF, indicating the re-sorption of Fe resulted in formation of new structure. The sorption mechanism of PGMs by this new sorbent, AlHCF, not only the simple ion exchange, but also oxidation reduction reaction as well as kinetics play important rule. Understanding the general sorption and dissolution behavior will help improve the sorption performance of PGMs by AlHCF.

Journal Articles

Extended X-ray absorption fine structure study on gel/liquid extraction of f-block elements

Nakase, Masahiko*; Kobayashi, Toru; Shiwaku, Hideaki; Kawamura, Takuya*; Takeshita, Kenji*; Yamamura, Tomoo*; Yaita, Tsuyoshi

Progress in Nuclear Science and Technology (Internet), 5, p.56 - 60, 2018/11

Gel/liquid extraction was investigated to achieve selective separation of trivalent actinides over lanthanides. In this study, thermosensitive hydrogel including N,N,N',N'-tetraallylpyridine-2,6-dicarboxamine (PDA) was synthesized, and its complexation with lanthanide was investigated by extended X-ray absorption fine structure experiments at SPring-8. The radial structure functions (RSF) of solution with gels with and without ligands at different temperatures showed slight differences. As the temperature increased, the RSF decreased owing to the increase in thermal vibration, but PDA-gel showed a shift in the first peak toward the shorter direction. This shift was attributed to the change in stoichiometry of PDA-Ln(III) complexes or coordination number of water molecules affected by the change of conformation of polymer chains and the hydrophilic/hydrophobic properties in the hydrogel.

Journal Articles

Irradiation test of semiconductors components on the shelf for nuclear robots based on Fukushima Accidents

Kawatsuma, Shinji; Nakai, Koji; Suzuki, Yoshiharu; Kase, Takeshi

QST-M-2; QST Takasaki Annual Report 2015, P. 81, 2016/12

Radiation Tolerance of semiconductor components on the shelf, utilized on the robots for emergency response or decommissioning in nuclear facilities, should be estimated. Just after the Fukushima Daiichi NPPs accidents occurred, a guideline, of irradiation tolerance estimation and management method of semiconductor components on the shelf, was tried to be made based on the old database developed in the course of Bilateral Servo Manipulator under the high radiation and high contamination environments. The estimation was conservative, because the data in the database were old and mainly based on the test results of silicon semiconductors. Ga-As Semiconductors are coming major recently, and expected to be higher radiation tolerance. For those reason, present semiconductor devices have irradiated and the irradiation tolerance have estimated.

Journal Articles

Structure and complexation studies on 2,2'-bipyridyl and trivalent lanthanides

Nakase, Masahiko*; Takeshita, Kenji*; Kobayashi, Toru; Shiwaku, Hideaki; Yaita, Tsuyoshi

Separation Science and Technology, 50, p.2832 - 2835, 2015/05

 Times Cited Count:1 Percentile:5.58(Chemistry, Multidisciplinary)

Separation of trivalent lanthanides (Ln) and trivalent actinides (An) is important task in reprocessing high-level liquid waste. In this study, the relationship between structures of complexes of 2,2'-bipyridyl (Bpy) and Ln and coordination strengths were investigated by X-ray diffraction and UV titration. With the decrease in ionic radius from Nd to Er, the N(Bpy)-Ln distance and N(Bpy)-Ln-N(Bpy) angle decreased, the dihedral angle of the Bpy pyridines increased, and the stability constant increased. This information about structure and coordination strength is important for designing better ligands for separating Ln and An ions.

Journal Articles

Study on cleaing solvents using activated alumina in PUREX process

Arai, Yoichi; Ogino, Hideki; Takeuchi, Masayuki; Kase, Takeshi; Nakajima, Yasuo

Proceedings in Radiochemistry, 1(1), p.71 - 74, 2011/09

Solvent cleanup method using activated alumina was discussed in this study. This method was one of candidate to remove TBP/$$n$$-dodecane degradation products. The degradation sample of 30% TBP/$$n$$-dodecane was prepared by irradiation (1.6 MGy) using $$^{60}$$Co $$gamma$$-source. The absorbed dose for sample was almost 1.6 MGy. The degradation products were qualitatively analyzed by gas chromatography-mass spectrometer (GC-MS). After the irradiation, solvent cleanup was performed by activated alumina and the cleanup using alumina was examined by phase separation test with 3M HNO$$_{3}$$. As the result, it was found that hexane and long-chain alcohols were mainly generated as the n-dodecane degradation products by irradiation, and almost 70% of the TBP/$$n$$-dodecane degradation products were removed and the phase separation performance were improved by the cleanup using activated alumina.

Journal Articles

Common platform for communication among stakeholders using argumentation model for safety

Osawa, Hideaki; Hioki, Kazumasa; Makino, Hitoshi; Semba, Takeshi; Umeki, Hiroyuki; Takase, Hiroyasu*

Kenkyu, Gijutsu Keikaku Gakkai Dai-25-Kai Nenji Gakujutsu Taikai Oyobi Sokai Koen Yoshishu (CD-ROM), p.55 - 60, 2010/10

This paper describes new concept of common platform for communication among stakeholders using argumentation model for safety on geological disposal.

Journal Articles

Practical application of the KMS, 2; Site characterisation

Semba, Takeshi; Osawa, Hideaki; Hioki, Kazumasa; Tachibana, Shoko*; Takase, Hiroyasu*; McKinley, I. G.*

Proceedings of 12th International Conference on Environmental Remediation and Radioactive Waste Management (ICEM '09/DECOM '09) (CD-ROM), 8 Pages, 2009/10

To provide support for the Japanese implementer and also the regulator, a JAEA team is attempting to capture both Japanese and international geosynthesis experience within a KMS framework, which is termed ISIS. This is a hybrid system that combines "smart" software with human experts, although an aim is to capture tacit knowledge within expert systems to the maximum extent practicable. Initial tests, based mainly on field work carried out by JAEA at the sites of the Mizunami and Horonobe underground research laboratories.

Journal Articles

Extraction and stripping tests of engineering-scale centrifugal contactors cascade system for spent nuclear fuel reprocessing

Takeuchi, Masayuki; Ogino, Hideki; Nakabayashi, Hiroki; Arai, Yoichi; Washiya, Tadahiro; Kase, Takeshi; Nakajima, Yasuo

Journal of Nuclear Science and Technology, 46(3), p.217 - 225, 2009/03

 Times Cited Count:11 Percentile:61.95(Nuclear Science & Technology)

Journal Articles

Development of next-generation technology for integrated site characterization of deep geological repositories

Osawa, Hideaki; Umeki, Hiroyuki; Ota, Kunio; Hama, Katsuhiro; Sawada, Atsushi; Takeuchi, Shinji; Semba, Takeshi; Takase, Hiroyasu*; McKinley, I. G.*

Proceedings of International Waste Management Symposium 2009 (WM '09) (CD-ROM), 11 Pages, 2009/03

The focus of this paper is development of advanced technology from the field of Knowledge engineering, termed the Information Synthesis and Interpretation System (ISIS), which incorporates past experience and know-how currently being obtained in complex URL projects within Expert System (ES) modules in 2009.

Journal Articles

Report on ITPA (International Tokamak Physics Activity) meeting, 22

Takenaga, Hidenobu; Ogawa, Yuichi*; Takizuka, Tomonori; Yagi, Masatoshi*; Yamada, Hiroshi*; Sakamoto, Yoshiteru; Toi, Kazuo*; Fukuda, Takeshi*; Fukuyama, Atsushi*; Fujita, Takaaki; et al.

Purazuma, Kaku Yugo Gakkai-Shi, 84(7), p.465 - 467, 2008/07

no abstracts in English

105 (Records 1-20 displayed on this page)