The effect of pore-scale contaminant distribution on the reactive decontamination of porous media

A porous material that has been contaminated with a hazardous chemical agent is typically decontaminated by applying a cleanser solution to the surface and allowing the cleanser to react into the porous material, neutralising the agent. The agent and cleanser are often immiscible fluids and so, if the porous material is initially saturated with agent, a reaction front develops with the decontamination reaction occurring at this interface between the fluids. We investigate the effect of different initial agent configurations within the pore space on the decontamination process. Specifically, we compare the decontamination of a material initially saturated by the agent with the situation when, initially, the agent only coats the walls of the pores (referred to as the 'agent-on-walls' case). In previous work (Luckins et al., European Journal of Applied Mathematics, 31(5):782-805, 2020), we derived homogenised models for both of these decontamination scenarios, and in this paper we explore the solutions of these two models. We find that, for an identical initial volume of agent, the decontamination time is generally much faster for the agent-on-walls case compared with the initially saturated case, since the surface area on which the reaction can occur is greater. However for sufficiently deep spills of contaminant, or sufficiently slow reaction rates, decontamination in the agent-on-walls scenario can be slower. We also show that, in the limit of a dilute cleanser with a deep initial agent spill, the agent-on-walls model exhibits behaviour akin to a Stefan problem of the same form as that arising in the initially saturated model. The decontamination time is shown to decrease with both the applied cleanser concentration and the rate of the chemical reaction. However, increasing the cleanser concentration is also shown to result in lower decontamination efficiency, with an increase in the amount of cleanser chemical that is wasted.