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FiPy quasi-neutral 1D electrolyte
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import fipy as fp | |
Lx = 1. | |
nx = 1000 | |
dx = Lx/nx | |
mesh = fp.Grid1D(nx=nx, dx=dx) | |
phi = fp.CellVariable(name="elec. potential", mesh=mesh, value=0.) | |
c_m = fp.CellVariable(name="conc.", mesh=mesh, value=1.0) | |
#V = -6e-1 | |
V = -4e-1 | |
#V = 4.0e0 | |
c0 = 1. | |
c_m.setValue(c0) | |
D_m = 2.03e-9 # m^2/s | |
D_p = 1.33e-9 # m^2/s | |
D_p = D_p/D_m | |
D_m = 1. | |
eq1 = (0 == fp.DiffusionTerm(coeff=-D_m, var=c_m) + | |
fp.DiffusionTerm(coeff=D_m*c_m, var=phi)) | |
eq2 = (0 == fp.DiffusionTerm(coeff=-(D_p - D_m), var=c_m) + | |
fp.DiffusionTerm(coeff=-(D_p + D_m)*c_m, var=phi)) | |
phi.constrain(0., mesh.facesLeft) | |
phi.constrain(V, mesh.facesRight) | |
c_m.constrain(c0, mesh.facesLeft) | |
c_m.faceGrad.constrain(c_m.faceValue*phi.faceGrad, mesh.facesRight) | |
Xcc = mesh.cellCenters[0] | |
J = 1 - fp.numerix.exp(V) | |
c_m_analyt = fp.CellVariable(name="analyt. conc.", mesh=mesh) | |
c_m_analyt.setValue(1 - J*Xcc) | |
phi_analyt = fp.CellVariable(name="analyt. phi", mesh=mesh) | |
phi_analyt.setValue(fp.numerix.log(1-J*Xcc)) | |
eq = eq1 & eq2 | |
res = 1e10 | |
nIt = 0 | |
while res > 1e-6: | |
res = eq.sweep() | |
print "Iteration:", nIt, "Residual:", res | |
nIt += 1 | |
anstol = 1e-3 | |
print c_m.allclose(c_m_analyt, rtol=anstol, atol=anstol) | |
print phi.allclose(phi_analyt, rtol=anstol, atol=anstol) |
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