fix SL mixing rules, add a new one

src/models/LatticeFluid/SanchezLacombe/SanchezLacombe.jl

@@ -20,7 +20,6 @@ end
 @registermodel SanchezLacombe
 const SL = SanchezLacombe
 
-
 function SanchezLacombe(components; 
     idealmodel=BasicIdeal, 
     mixing = SLk0k1lMixingRule, 
@@ -47,6 +46,7 @@ function SanchezLacombe(components;
 end
 
 include("mixing/SLk0k1lrule.jl")
+include("mixing/SLKrule.jl")
 
 function a_res(model::SanchezLacombe,V,T,z=SA[1.0])
     Σz = sum(z)     
@@ -63,10 +63,8 @@ function a_res(model::SanchezLacombe,V,T,z=SA[1.0])
 end
 
 function lb_volume(model::SanchezLacombe,z=SA[1.0])
-    Σz = sum(z)
     r = model.params.segment.values
     v = model.params.vol.diagvalues
-    r̄ = dot(z,r)
     #v_r,ε_r = mix_vε(model,0.0,0.0,z,model.mixing,r̄,Σz)
     return sum(r[i]*z[i]*v[i] for i in @comps)
 end
@@ -109,7 +107,7 @@ function x0_sat_pure(model::SanchezLacombe,T,z=SA[1.0])
     Tr = T/Ts
     nan = zero(Tr)/zero(Tr)
     Tr > 1 && return [nan,nan]
-    Tstar = Tr*PropaneRef_consts.T_c
+    Tstar = Tr*369.89
     rhov = _propaneref_rhovsat(Tstar)
     vv = 1/rhov
     psat = pressure(model,vv,T)
@@ -118,7 +116,7 @@ function x0_sat_pure(model::SanchezLacombe,T,z=SA[1.0])
     if isnan(vl)
         vv = nan
     end
-    return [log10(vl),log10(vv)]
+    return (log10(vl),log10(vv))
 end
 
-export SL,SanchezLacombe,SLk0k1lMixingRule
+export SL,SanchezLacombe,SLk0k1lMixingRule

src/models/LatticeFluid/SanchezLacombe/mixing/SLKrule.jl

@@ -0,0 +1,44 @@
+struct SLKRule <: SLMixingRule
+    components::Vector{String}
+    k::PairParam{Float64}
+end
+
+@registermodel SLKRule
+
+function sl_mix(unmixed_vol,unmixed_epsilon,mixmodel::SLKRule)
+    #dont mind the function names, it performs the correct mixing
+    premixed_vol= epsilon_LorentzBerthelot(unmixed_vol)
+    premixed_epsilon = sigma_LorentzBerthelot(unmixed_epsilon)
+    return premixed_vol,premixed_epsilon
+end
+
+function SLKRule(components; userlocations=String[], verbose=false)
+    params = getparams(components, ["LatticeFluid/SanchezLacombe/mixing/k0k1l_unlike.csv"]; userlocations=userlocations, verbose=verbose)
+    k = params["k0"]
+    model = SLKRule(components,k)
+    return model
+end
+
+function mix_vε(model::SanchezLacombe,V,T,z,mix::SLKRule,r̄,Σz)
+    v = model.params.vol.values
+    ε = model.params.epsilon.values
+    isone(length(z)) && return (only(v),only(ε))
+    r =  model.params.segment.values
+    k = mix.k.values
+    r̄inv = one(r̄)/r̄
+    ϕ = @. r* z* r̄inv/Σz
+    v_r = zero(V+T+first(z))
+    ε_r = v_r
+    Σz2 = 1/(Σz*Σz)
+    for i in @comps
+        for j in @comps
+            ϕi = ϕ[i]
+            ϕj = ϕ[j]
+            ϕiϕj = ϕi*ϕj 
+            v_r += ϕiϕj*v[i,j]
+            εij = ε[i,j]*(1-k[i,j])
+            ε_r += ϕiϕj*εij
+        end
+    end
+    return v_r,ε_r
+end

src/models/LatticeFluid/SanchezLacombe/mixing/SLk0k1lrule.jl

@@ -12,7 +12,7 @@ function SLk0k1lMixingRule(components; userlocations=String[], verbose=false)
     k0 = params["k0"]
     k1 = params["k1"]
     l = params["l"]
-    model = SLk0k1lMixingRule(components,k0,k1,l)
+   model = SLk0k1lMixingRule(components,k0,k1,l)
     return model
 end
 
@@ -24,13 +24,14 @@ function sl_mix(unmixed_vol,unmixed_epsilon,mixmodel::SLk0k1lMixingRule)
 end
 
 function mix_vε(model::SanchezLacombe,V,T,z,mix::SLk0k1lMixingRule,r̄,Σz)
-    r =  model.params.segment.values
+    ε = model.params.epsilon.values
     v = model.params.vol.values
+    isone(length(z)) && return (only(v),only(ε))
+    r =  model.params.segment.values
     k0 = mix.k0.values
     k1 = mix.k1.values
-    ε = model.params.epsilon.values
     r̄inv = one(r̄)/r̄
-     ϕ = @. r* z* r̄inv/Σz
+    ϕ = @. r* z* r̄inv/Σz
     v_r = zero(V+T+first(z))
     ε_r = v_r
     Σz2 = 1/(Σz*Σz)

src/models/LatticeFluid/SanchezLacombe/mixing/mixing.jl

@@ -1,4 +1,4 @@
-abstract type SLMixingRule end
+abstract type SLMixingRule <: EoSModel end
 
 function init_model(model::SLMixingRule,components,userlocations,verbose)
     return model
@@ -8,4 +8,4 @@ function init_model(model::Type{<:SLMixingRule},components,userlocations,verbose
     verbose && @info("""Now creating Sanchez-Lacombe mixing rule:
     $model""")
     return model(components;userlocations,verbose)
-end
+end