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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

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

Chemical form analysis of reaction products in Cs-adsorption on stainless steel by means of HAXPES and SEM/EDX

Kobata, Masaaki; Okane, Tetsuo; Nakajima, Kunihisa; Suzuki, Eriko; Owada, Kenji; Kobayashi, Keisuke*; Yamagami, Hiroshi; Osaka, Masahiko

Journal of Nuclear Materials, 498, p.387 - 394, 2018/01

 Times Cited Count:9 Percentile:81.13(Materials Science, Multidisciplinary)

In this study, for the understandings of Cesium (Cs) adsorption behavior on structure materials in severe accidents at a light water nuclear reactor, the chemical state of Cs and its distribution on the surface of SUS304 stainless steel (SS) with different Si concentration were investigated by hard X-ray photoelectron spectroscopy (HAXPES) and scanning electron microscope / energy dispersive X-ray spectroscopy (SEM/EDX). As a result, it was found that Cs is selectively adsorbed at the site where Si distributes with high concentration. CsFeSiO$$_{4}$$ is a dominant Cs products in the case of low Si content, mainly formed, while Cs$$_{2}$$Si$$_{2}$$O$$_{5}$$ and Cs$$_{2}$$Si$$_{4}$$O$$_{9}$$ are formed in addition to CsFeSiO$$_{4}$$ in the case of high Si content. The chemical forms of the Cs compounds produced in the adsorption process on the SS surface has a close correlation with the concentration and chemical states of Si originally included in SS.

Oral presentation

Chemical state of adsorbed Cesium under LWR severe accident studied by hard X-ray photoelectron spectroscopy

Kobata, Masaaki; Okane, Tetsuo; Kobayashi, Keisuke*; Owada, Kenji*; Nakajima, Kunihisa; Suzuki, Eriko; Osaka, Masahiko

no journal, , 

To understand the chemisorption behavior of Cesium (Cs) under an LWR severe accident, we have studied the Cs chemisorbed surfaces of the simulation samples (stainless steel) by hard X-ray photoelectron spectroscopy (HAXPES). It was found that the chemical states of Cs adsorbed on the sample surface were varied in dependence upon a silicon concentration of sample.

Oral presentation

High temperature oxidation of Zr-35Cu alloy at 873 K

Nakahara, Kaito*; Kawada, Rio*; Irisawa, Eriko; Ueda, Mitsutoshi*; Kawamura, Kenichi*

no journal, , 

In order to develop oxygen sensor using oxide scales formed on the surface of zirconium alloy, we focused on zirconium and copper alloy system. It was expected that the oxide scale of Zr oxide on the alloy is thin and elaborate compared with that on the pure Zr because the activity of Zr in the alloy is reduced and the oxidation rate of alloy become slow. Therefore the oxidation behavior and mechanism of two phase alloy, Zr-35Cu which is composed of Zr$$_{2}$$Cu and Zr$$_{7}$$Cu$$_{10}$$, was studied. The results showed the oxidation rate of the alloy was same with that of the pure Zr.

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