JOPSS - Search Results

Development of accident consequence analysis method bas been under carried out at Japan Atomic Energy Agency as a part of research activities for development of probabilistic safety assessment method of nuclear fuel facilities. A computer tool has been developed to simulate boiling event of reprocessed liquid waste which is postulated to be occurred caused by the loss of cooling function at a fuel reprocessing plant. Thermodynamic properties of boiling and condensed nitric acid aqueous solution containing radioactive waste are necessary to assess quantitatively the amount of radioactive materials transferring to gas phase. The developed tool simulates boiling and condensation process of liquid waste based on the ebullioscopy. A simulation study of experimental result has been carried out and it was demonstrated that behavior of temperature and concentration of nitric acid of liquid waste are simulated well.

Oral presentation

Development of a hybrid framework of first principle molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids (MC-MOZ method)

Kido, Kentaro; Kasahara, Kento*; Sato, Hirofumi*; Yokogawa, Daisuke*

no journal, ,

We develop a framework to describe chemical processes in solution by combining of standard MO calculation and a three-dimensional formalism of integral equation theory for molecular liquids so-called MC-MOZ method, which corresponds to an alternative 3D-RISM-SCF approach. In order to investigate the validity, the applications to water and formaldehyde in aqueous solution are carried out. Compared with the related frameworks and experimental values, the solvation structures, electronic and thermodynamic properties obtained by the present method are reasonable. Similarly, the present framework was applied to a simple chemical reaction.

Oral presentation

Development and application of methodologies for source term analysis

Maruyama, Yu; Ishikawa, Jun; Zheng, X.; Kido, Kentaro; Matsumoto, Toshinori; Shiotsu, Hiroyuki; Ito, Hiroto; Tamaki, Hitoshi

no journal, ,

Oral presentation

Effects of seawater constituents on the iodine chemistry in aqueous solution

Kido, Kentaro; Hata, Kuniki; Maruyama, Yu

no journal, ,

no abstracts in English

Oral presentation

Development of a non-iterative combination of MC-MOZ method and MO theory using linear response approximation

Kido, Kentaro

no journal, ,

no abstracts in English

Oral presentation

Recent activities toward reducing uncertainties in severe accident analysis and evaluation for nuclear power plants

Kido, Kentaro

no journal, ,

no abstracts in English

Oral presentation

Analysis of mass transfer effect on chemically produced iodine release from aqueous phase

Zablackaite, G.; Shiotsu, Hiroyuki; Kido, Kentaro; Sugiyama, Tomoyuki

no journal, ,

Oral presentation

A Sensitivity analysis of the iodine production using a reaction kinetics dataset

Zablackaite, G.; Shiotsu, Hiroyuki; Zheng, X.; Kido, Kentaro

no journal, ,

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An Analytical model to decompose mass transfer and chemical process contributions to molecular iodine release from aqueous phase under severe accident conditions

OECD/NEA ARC-F Project; Summary of fission product transport

Conformation, hydration, and ligand exchange process of ruthenium nitrosyl complexes in aqueous solution; Free-energy calculations by a combination of molecular-orbital theories and different solvent models

A Theoretical investigation on the intermolecular potential curve between ruthenium tetroxide and NO $_{rm X}$ (X = 1, 2)

A Noniterative mean-field QM/MM-type approach with a linear response approximation toward an efficient free-energy evaluation

Effects of constituents of seawater on formation of volatile iodine by aqueous phase radiation chemistry

Formation and release of molecular iodine in aqueous phase chemistry during severe accident with seawater injection

A Hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids; Multi-center molecular Ornstein-Zernike self-consistent field approach

Development of simulation tool for boiling event of reprocessed radioactive liquid waste

Development of a hybrid framework of first principle molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids (MC-MOZ method)

Development and application of methodologies for source term analysis

Effects of seawater constituents on the iodine chemistry in aqueous solution

Development of a non-iterative combination of MC-MOZ method and MO theory using linear response approximation

Recent activities toward reducing uncertainties in severe accident analysis and evaluation for nuclear power plants

Analysis of mass transfer effect on chemically produced iodine release from aqueous phase

A Sensitivity analysis of the iodine production using a reaction kinetics dataset