Behavior of Hydrophobic Isotopic Exchange Catalysts in the Presence of Tritiated Water
- National Institute of Research and Development for Physics and Nuclear Engineering (Romania)
- National R and D Institute for Cryogenics and Isotopic Techologies (Romania)
The behavior of hydrophobic catalyst in the isotopic exchange reactions H/D/T was analyzing by quantum chemical methods.The primary radiolytic effect was evaluated using a two-step radiolytic mechanism: a) the ionization of molecule and spatial redistribution of atoms in order to reach a minimum value of energy, characteristic to the new quantum state; b) the neutralization of molecule by capture of an electron and its rapid dissociation in free radicals. Chemical bonds suspected to break are located in the distribution region of LUMO orbital and have minimal bond energy.Evaluation of secondary effects taking place in polymeric structure in the presence of water was carried out through the study of the transition state resulted after the attack of HO. radicals formed in the radiolysis of tritiated water.
- OSTI ID:
- 20854239
- Journal Information:
- Fusion Science and Technology, Vol. 48, Issue 1; Other Information: Copyright (c) 2006 American Nuclear Society (ANS), United States, All rights reserved. http://epubs.ans.org/; Country of input: International Atomic Energy Agency (IAEA); ISSN 1536-1055
- Country of Publication:
- United States
- Language:
- English
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