A technique for modeling transport/conversion processes applied to smectite-to-illite conversion in HLW buffers

This paper describes an application of a technique developed for modeling chemical processes in buffer materials that are controlled by a reaction rate and by the transport of one component, which is essential for the process in question to occur. The application described here is the illitization of smectite by fixation of potassium ions in cation exchange positions, and with diffusion of dissolved potassium being the transport process. The technique is verified by comparison with analytical solutions. An overview, based on small models, is given which outlines under what constellations of assumptions the time scale for conversion of the buffer is controlled by reaction rate parameters and under which conditions transport controls this time scale. Examples are given of calculations performed for deposition holes, with potassium being supplied from the surroundings to the upper parts of the highly compacted bentonite buffer. It is concluded that restrictions in nearfield transport capacity have a very significant effect on the conversion time scale. Towards the end of the heating period about 98% of the smectite is found to remain, even for reaction rates and buffer transport conditions that would have left only 10% of the smectite unconverted without nearfield transport restrictions. It is also concluded that the modeling technique can be applied to other, similar, transport/conversion processes.