splitting kind of works

Author: longemen3000

src/models/Electrolytes/ESElectrolyte.jl

@@ -1,6 +1,3 @@
-include("equations.jl")
-
-
 
 struct ESElectrolyte{T<:IdealModel,c<:EoSModel,i<:IonModel} <: ESElectrolyteModel
     components::Array{String,1}
@@ -157,8 +154,13 @@ function Base.show(io::IO,mime::MIME"text/plain",model::ESElectrolyteModel)
     show_reference_state(io,model;space = true)
 end
 
-
-include("stability.jl")
+#=
+struct ESElectrolyteWrapper{M} <: ESElectrolyteModel
+    components::Vector{String}
+    charge::Vector{Int64}
+    model::M
+    salt::SaltParam
+end=#
 
 export dielectric_constant, ESElectrolyte
 

src/models/Electrolytes/ISElectrolyte.jl

@@ -1,24 +1,27 @@
+
+
+
+struct ISElectrolite{T<:IdealModel,c<:EoSModel,i<:IonModel} <: ISElectrolyteModel
+    components::Array{String,1}
+    idealmodel::T
+    neutralmodel::c
+    ionmodel::i
+    references::Array{String,1}
+end
+
+
 struct ISElectrolyteWrapper{M} <: ISElectrolyteModel
     components::Vector{String}
     model::M
     salt::SaltParam
 end
 
-struct ESElectrolyteWrapper{M} <: ESElectrolyteModel
+struct ISElectrolyteIdealWrapper{M} <: IdealModel
     components::Vector{String}
-    charge::Vector{Int64}
     model::M
     salt::SaltParam
 end
 
-struct ISElectrolite{T<:IdealModel,c<:EoSModel,i<:IonModel} <: ISElectrolyteModel
-    components::Array{String,1}
-    idealmodel::T
-    neutralmodel::c
-    ionmodel::i
-    references::Array{String,1}
-end
-
 function ISElectrolyteWrapper(model::ESElectrolyteModel)
     salt = SaltParam(model)
     components = salt.implicit_components
@@ -30,13 +33,29 @@ function a_res(model::ISElectrolyteWrapper, V, T, z)
     return a_res(model.model,V,T,w)
 end
 
+#=
 function a_res(model::ESElectrolyteWrapper, V, T, z)
     w = to_salt(model.salt,z)
     return a_res(model.model,V,T,w)
+end =#
+
+function idealmodel(model::ISElectrolyteWrapper)
+    return ISElectrolyteIdealWrapper(model.components,idealmodel(model.model),model.salt)
+end
+
+function a_ideal(model::ISElectrolyteIdealWrapper,V,T,z)
+    w = to_ion(model.salt,z)
+    return a_ideal(model.model,V,T,w)
 end
 
-idealmodel(model::ISElectrolyteWrapper) = idealmodel(model.model)
-idealmodel(model::ESElectrolyteWrapper) = idealmodel(model.model)
+Rgas(model::ISElectrolyteWrapper) = Rgas(model.model)
+Rgas(model::ISElectrolyteIdealWrapper) = Rgas(model.model)
+
+function eos_impl(model::ISElectrolyteWrapper,V,T,z)
+    w = to_ion(model.salt,z)
+    ∑z = sum(z)
+    return ∑z*Rgas(model)*T*eos_impl(model,V,T,w)
+end
 
 function tp_flash_K0!(K,model::ISElectrolyteModel,p,T,z)
     neutral = zeros(Bool,length(model))
@@ -54,4 +73,9 @@ function tp_flash_K0!(K,model::ISElectrolyteModel,p,T,z)
     return K
 end
 
-export ISElectrolyteWrapper
+function each_split_model(model::ISElectrolyteWrapper,I_salt)
+    salt_i,I_ion = IS_each_split_model(model.salt,I_salt)
+    return ISElectrolyteWrapper(model.components[I_salt],each_split_model(model.model,I_ion),salt_i)
+end
+
+export ISElectrolyteWrapper

src/models/Electrolytes/SaltParam.jl

@@ -30,7 +30,7 @@ function explicit_salt_param(comps,salts,Z)
         for ion_vals in pairings
             ion_i,ni = first(ion_vals),last(ion_vals)
             ki = findfirst(isequal(ion_i),comps)
-            
+
             if !isnothing(ki)
                 ri[ki] = 1/ni
             else
@@ -63,8 +63,40 @@ function to_salt(m::SaltParam,z)
     return res
 end
 
-function to_ion(m::SaltParam,z)    
-    zz = vcat(z,zero(eltype(z)))
+function to_ion(m::SaltParam,z)
+    if size(m.mat,1) == length(z)
+        zz = similar(z)
+        zz .= z
+    else
+        zz = vcat(z,zero(eltype(z)))
+    end
     ldiv!(m.F,zz)
     return zz
 end
+
+#from a vector of salts, split a SaltParam, returns a salt param and the ion indices
+function IS_each_split_model(salt::SaltParam,I_salt)
+    nions = length(salt.explicit_components)
+    m = salt.mat
+    I_ion_bool = Vector{Bool}(undef,nions)
+    rr = eachrow(m)
+    for i in 1:length(rr)-1
+        if in(i,I_salt)
+            rri = rr[i]
+            for k in 1:nions
+                I_ion_bool[k] = !iszero(rri[k])
+            end
+        end
+    end
+    I_ion_int = findall(I_ion_bool)
+    if length(I_ion_int) == length(I_salt)
+        mm = m[I_salt,I_ion_int]
+    else
+        I_salt_plus_charge = vcat(I_salt,nions)
+        mm = m[I_salt_plus_charge,I_ion_int]
+    end
+    split_salt = SaltParam(false,salt.explicit_components[I_ion_int],salt.implicit_components[I_salt],mm,lu(mm))
+    return split_salt,I_ion_int
+end
+
+export SaltParam