Determination of Diffusion Parameters by a Computer Code (FDP) Based on Mathematica 6.0

A computer code named Fitting for Diffusion Parameters (FDP) based on Mathematica 6.0 has been developed for modeling through- and out-diffusion experiments. FDP was used to determine the diffusion coefficients (De ) and the rock capacity factors (α) for tritiated water (HTO) and 22 Na+ and the distribution coefficient (Kd ) of 22 Na+ in Opalinus Clay (OPA). The values for De and α were obtained by fitting the results of experimental data of both transient and steady-state phases to the analytical solution of accumulated activity. The quality of the parameters De and α was tested by using them as input parameters in the equation of flux. Moreover, the diffusion parameters of HTO and 22 Na+ …