Application of direct numerical analysis by fast fourier transform to isotopic exchange process in a metal hydride particle bed

Hydrogen isotope separation based on isotopic exchange on metal hydride surfaces has been proposed. In this paper, the material balance equation of deuterium in a particle bed of a metal hydride and the diffusion equation are solved in a Laplace domain, and Fast Fourier Transform (FFT) is adopted to invert Laplace transforms numerically. The system considered includes steps of fluid-film diffusion, isotopic exchange reaction on surfaces and diffusion in solid particles. The effects of each mass-transfer resistance and axial dispersion on the shape of effluent curves are revealed under two different boundary conditions. Experimental effluent curves were obtained using the pulse-change of an influent deuterium concentration in a LaNi₃Al₂ hydride bed. The exchange capacity and the overall mass-transfer capacity coefficient were determined from fitting in the time domain and were compared with those by Fourier and moment analyses in terms of the time and accuracy of the calculations. The Fourier analysis gave almost the same values of the mass-transfer quantities in shorter time compared with the analysis by FFT and gave the values of up to the third moment more accurately than those by the moment definition.