Can Matlab be used to solve a moving boundary problem

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Robert Demyanovich
Robert Demyanovich 2021-5-23
编辑： Robert Demyanovich 2021-5-24
I'm trying to determine the neutralization time (tn) of strong acid and strong base. Strong acid, A, is initially in a slab of thickness -2δ and strong base, B, is initially in a slab of thicknss 2δ. Slabs alternate with a slab of A next to one of B next to one of A next to one of B and so on. Because of symmetry, only the half slab thicknesses of each slab of reactant needs to be considered. The slabs only have diffusion of the reactants and when the reactants meet they react instantaneously in a stoichiometry of 1 to 1. So at the reaction plane, the concentration of each reactant is zero. The problem is a moving boundary problem and is illustrated in the attachment.
The boundary conditions at -δ and +δ are no flux conditions. The other boundary is the reaction plane which moves with time. At this plane the concentration of either A or B is zero.
Fick's 2nd law applies. Because the reaction is instantaneous and irreversible, the effect of the reaction is to keep the concentration of each reactant at zero at the reaction plane. Therefore, no reaction term is need nor a convection term; it is just Fick's 2nd law involving only diffusion. I have not been able to come up with an analytical solution so I want to try a numerical method. Could I use MatLab to solve this problem or is the moving boundary aspect of the problem beyond its capabilities?
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Bill Greene
Bill Greene 2021-5-24
I'm still confused about how the position of the front is determined. You show an equation in your comment above but say that β is unknown. So how do you determine β? Can you please provide a complete mathematical description of your problem?
In Stefan-type problems that Torsten mentioned, there is an ODE that determines the front position. But, for this class of problem, solution approaches have been developed that do not require explicit tracking of the front.
Robert Demyanovich
Robert Demyanovich 2021-5-24
编辑：Robert Demyanovich 2021-5-24
I've attached an updated (although imperfect) diagram. Because of symmetry we only need to consider diffusion within the slab bounded by . As you can see in the diagram, because there is initially more A (acid) than B (base) on a stoichiometric basis, the reaction plane moves towards . When it reaches , neutralization of B has occurred and the neutralization time on the drawing is indicated by . After infinite time, A equilibrizes over the entire region (). At infinite time, the concentration of A is simply (.
The mass transfer is governed by Fick's law of diffusion:
with the following initial conditions:
at t = 0 and
and at t = 0 and
Now at , A diffuses in the region bounded by and the reaction plane [let's call it ].
At , B diffuses in the opposite direction of A within the region bounded by and .
For diffusion of A one boundary condition at x = is:
For diffusion of B one boundary condition at x = is:
The other boundary condition for both A and B is at the reaction plane.
For A: :
and for B: :
Now in similar diffusion problems (but with different boundary conditions), the following is often used to relate the location of the reaction plane to time:
Although I don't know much about the Stefan problem, I believe that a similar equation results from the melting of ice.
At this point in time, I'm not really sure about the value of the constant, β. I need to do some more research, and it's likely it can be calculated.

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