Simulation of radio nuclide migration in crystalline rock under influence of matrix diffusion and sorption kinetics: Code development and pre-assessment of migration experiment

The overall objective of the present study is to illuminate how spatial variability in rock chemistry in combination with spatial variability in matrix diffusion affects the radio nuclide migration along single fractures in crystalline rock. Models for ground water flow and transport of radio nuclides in a single fracture with micro-fissures have been formulated on the basis of generally accepted physical and chemical principles. Limits for the validity of the models are stated. The model equations are solved by combining finite differences and finite element methods in a computer code package. The computational package consists of three parts, namely, a stochastic field generator, a sub-program that solves the flow problem and a sub-program that solves the transport problem in a single fracture with connecting micro-fissures. Migration experiments have been pre-assessed by simulations of breakthrough curves for a constant concentration change at the upstream boundary. Breakthrough curves are sensitive to variations of parameters, such as, fracture aperture, porosity, distribution coefficient and advection velocity. The impact of matrix diffusion and sorption is manifested in terms of a retention of radionuclides causing a prolonged breakthrough. Heterogeneous sorption was characterized with a variable distribution coefficient for which the coefficient of variation CV(Kd)=1 and the integral scale of an exponential covariance function is one tenth of the drill core's length. Simulated breakthrough curves for the heterogeneous sorption case have a relative variance of 3% in comparison to that of homogeneous case. An appropriate experimental set up for investigation of the effect of matrix diffusion and sorption on radio nuclide migration experiments would be an aperture less than 1 mm and porosity larger than 0.5%. 36 refs, 19 figs