solvepressure(electrolyte)

Check if pressure is to be solved for using the pressure Laplace equation derived from the Navier-Stokes equation in mechanical equilibrium or if the pressure is obtained from the (Navier)-Stokes solver.

edgevelocity(electrolyte, iedge)

Obtain the velocity projection onto a simplex edge of index i (normals to Voronoi cell boundaries).

chargedensity!(q, sol,electrolyte)

Calculate charge density from solution (on the whole grid), putting the resulti into q and returning this vector.

vrel(ic,electrolyte)

Calculate relative (wrt. solvent) molar volume of i-th species $v_{i,rel}=κ_i+\frac{v_i}{v_0}$.

wnorm(u,w,p)

Weighted norm with respect to columns

pbspacecharge(φ, p, electrolyte)

Space charge expression for Poisson-Boltzmann

pbreaction(f, u, node, electrolyte)

Reaction expression for Poisson-Boltzmann

pbflux(f, u, edge, electrolyte)

Flux expression for Poisson-Boltzmann

set_model!(electrolyte, model)

Force the electrolyte data to be consistent to given model. The following models are supported:

• :default, :DGL: Dreyer/Guhlke/Landstorfer model (varying solvation, molar volumes, molar mass, solve for pressure)
• :BAO: Borukhov/Andelman/Orland ($κ_i=0$, $M_i=M_0$, solvepressure=false)
• :DGM: Dreyer/Guhlke/Müller ($κ_i=0$, $v_i=v_0$)
• :ρconst: Constant density ($M_i=M_0v_i/v_0$) (for consistent coupling with stokes)

pnpreaction(f, u, node, electrolyte)

Finite volume reaction term

pnpflux(f, u, edge, electrolyte)

Finite volume flux. It calls either sflux, cflux or aflux.

pnpstorage(f, u, node, electrolyte)

Finite volume storage term

pnpbstorage(f, u, node, electrolyte)

Finite volume boundary storage term

sflux(ic,dϕ,ck,cl,γk,γl,bar_ck,bar_cl,electrolyte; evelo=0.0)

Sedan flux, see Gaudeul/Fuhrmann 2022

Appearantly first described by Yu, Zhiping and Dutton, Robert, SEDAN III, www-tcad.stanford.edu/tcad/programs/sedan3.html

see also the 198? Fortran code available via https://web.archive.org/web/20210518233152/http://www-tcad.stanford.edu/tcad/programs/oldftpable.html

Verification calculation is in the paper.

aflux(ic,dϕ,ck,cl,γk,γl,bar_ck,bar_cl,electrolyte; evelo=0)

Flux expression based on activities, see Fuhrmann, CPC 2015 ??? Do we need to divide the velocity by the inverse activity coefficient ?

cflux(ic,dϕ,ck,cl,γk,γl,bar_ck,bar_cl,electrolyte; evelo = 0)

Flux expression based on central differences, see Gaudeul/Fuhrmann 2022

 dμex(γk, γl, electrolyte)

Calculate differences of excess chemical potentials from activity coefficients

splitz(range::AbstractRange)

If range contains zero, split it into two parts, one with values <=0 and one with values >=0. Otherwise, return the range or its reverse, such that first value always is the one with the smallest absolute value.

splitz(range::Vector)

Version of splitz(range::AbstractRange) for vectors.