Study on chemical kinetics of HTO + H2 → H2O + HT for design of tritium breeding blanket

Michiko Ahn Furudate (1) , Seungyon Cho (2) , Denis Hagebaum-Reignier (3)

1 CNU - Chungnam National University
2 NFRI - National Fusion Research Institute
3 CTOM - Chimie Theorique et Modèles

Understanding the details of chemical kinetics related to the tritium recovery process is necessary to design highly efficient Tritium Extraction System (TES) in the fusion reactors. In the TES, tritium is expected to be released in the form of HTO from the breeder pebbles, and recovered in the form of HT in the helium purge gas containg small amount of hydrogen. The exchange reaction HTO + H2 → H2O + HT is considered to be one of the important chemical reaction to obtain the tritium in the form of HT in the purge gas flow. In this study, the chemical kinetics of HTO + H2 → H2O + HT is investigated based on quantum chemistry. Firstly, the potential energy surface will be explored to obtain information of reaction paths and its transition states by using a quantum chemistry calculation software. Then, the reaction rate constant of the exchange reaction is estimated from transition state theory.

Mots clés: Tritium recovery process; Tritium extraction system; Chemical kinetics; Reaction rate constants; Quantum chemistry; Transition state theory

Domaines: Chimie théorique et/ou physique

Michiko Ahn Furudate, Seungyon Cho, Denis Hagebaum-Reignier. Study on chemical kinetics of HTO + H2 → H2O + HT for design of tritium breeding blanket. Fusion Engineering and Design, 2018, 136, Part A, pp.438-441. ⟨10.1016/j.fusengdes.2018.02.083⟩. ⟨hal-01988705⟩