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Furudate, Michiko Ahn,Cho, Seungyon,Hagebaum-Reignier, Denis Elsevier 2018 Fusion engineering and design Vol.136 No.1
<P><B>Abstract</B></P> <P>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 + H<SUB>2</SUB> → H<SUB>2</SUB>O + 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 + H<SUB>2</SUB> → H<SUB>2</SUB>O + 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.</P>
화성대기 돌입체 주위 열화학 비평형 유동장의 3차원계산
Michiko Ahn Furudate 한국기계기술학회 2015 한국기계기술학회지 Vol.17 No.2
A three-dimensional computational fluid dynamics code is developed for predicting nonequilibrium flowfields over Mars entry probes. The numerical scheme is based on the cell-vertex finite volume method for a prismatic unstructured mesh system. Internal energy excitations and chemical reactions with finite rates are considered by introducing the two-temperature model of Park. Eight chemical species, C, N, O, CO, N2, NO, O2, and CO2, and nine chemical reactions are considered in the calculations. The developed code is verified in terms of prediction of heat flux to the body surface near the stagnation point of a Mars entry probe flying with the velocity of 6 km/s. The calculated heat flux reasonably agree with the calculated result in the past studies.