Non-Empirical Study of Chemical Reactions Including Fission Products in Severe Light Water Reactor Accidents.
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- INADA Yasuzi
- Supercomputing Technology Division 2, FUJI Research Institute Corporation
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- AKAGANE Kikuo
- System Safety Department, Nuclear Power Engineering Corporation
書誌事項
- タイトル別名
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- Non-Empirical Study of Chemical Reactio
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Elementary chemical reactions including volatile (gaseous) fission products, such as iodine and cesium, are analyzed from the first principle, so as to enable us to study the kinetic behavior (non-equilibrium state) of fission products in severe light water reactor accidents without experimental rate constants. Activation energies are calculated with a computer program Gaussian94, which is based on the non-empirical (ab initio) molecular orbital theory. Calculated values are expected to agree with those of experiments within an accuracy of a few kcal/mol. Using the values obtained above, rate constants are also calculated in the framework of the transition state theory. It is concluded that the derived rate constants can predict the orders of magnitude of experimental values under high temperature conditions (1, 000K or higher) as in severe accidents.
収録刊行物
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- Journal of Nuclear Science and Technology(日本原子力学会英文論文誌)
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Journal of Nuclear Science and Technology(日本原子力学会英文論文誌) 33 (7), 562-568, 1996
一般社団法人 日本原子力学会
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詳細情報 詳細情報について
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- CRID
- 1390001204095222016
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- NII論文ID
- 10002075103
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- NII書誌ID
- AA00703720
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- COI
- 1:CAS:528:DyaK28Xlt1GlsbY%3D
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- ISSN
- 18811248
- 00223131
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- NDL書誌ID
- 4060407
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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- 使用不可