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
Bibliographic Information
- Other Title
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- Non-Empirical Study of Chemical Reactio
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Abstract
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.
Journal
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- Journal of Nuclear Science and Technology
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Journal of Nuclear Science and Technology 33 (7), 562-568, 1996
Atomic Energy Society of Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390001204095222016
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- NII Article ID
- 10002075103
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- NII Book ID
- AA00703720
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- COI
- 1:CAS:528:DyaK28Xlt1GlsbY%3D
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- ISSN
- 18811248
- 00223131
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- NDL BIB ID
- 4060407
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- Text Lang
- en
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed