@@ -740,6 +740,8 @@ mutable struct FragmentBasedConstantTrhoDomain{N<:AbstractPhase,S<:Integer,W<:Re
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constantspeciesinds:: Array{S,1}
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T:: Float64
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rho:: Float64
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+ phi:: W
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+ d:: W
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A:: Float64
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kfs:: Array{W,1}
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krevs:: Array{W,1}
@@ -766,6 +768,8 @@ function FragmentBasedConstantTrhoDomain(; phase::Z, initialconds::Dict{X,E}, co
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mass = 0.0
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P = 1.0e8
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A = 0.0
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+ phi = 0.0 # default 0
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+ d = 0.0
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fragmentnames = getfield .(getphasespecies (phase), :name )
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@@ -781,6 +785,10 @@ function FragmentBasedConstantTrhoDomain(; phase::Z, initialconds::Dict{X,E}, co
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elseif key == " mass"
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mass = val
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y0[end ] = val
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+ elseif key == " Phi"
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+ phi = val
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+ elseif key == " d"
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+ d = val
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else
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ind = findfirst (isequal (key), fragmentnames)
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@assert typeof (ind) <: Integer " $key not found in fragment list: $fragmentnames "
@@ -829,7 +837,7 @@ function FragmentBasedConstantTrhoDomain(; phase::Z, initialconds::Dict{X,E}, co
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end
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rxnarray = getreactionindices (phase)
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return FragmentBasedConstantTrhoDomain (phase, [1 , length (fragmentnames), length (fragmentnames) + 1 ], [1 , length (phase. species) + length (phase. reactions)], constspcinds,
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- T, rho, A, kfs, krevs, kfsnondiff, efficiencyinds, Gs, rxnarray, mu, diffs, jacobian, sensitivity, false , MVector (false ), MVector (0.0 ), p, Dict (" mass" => length (fragmentnames) + 1 )), y0, p
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+ T, rho, phi, d, A, kfs, krevs, kfsnondiff, efficiencyinds, Gs, rxnarray, mu, diffs, jacobian, sensitivity, false , MVector (false ), MVector (0.0 ), p, Dict (" mass" => length (fragmentnames) + 1 )), y0, p
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end
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export FragmentBasedConstantTrhoDomain
@@ -842,6 +850,7 @@ mutable struct ConstantTLiqFilmDomain{N<:AbstractPhase,S<:Integer,W<:Real,W2<:Re
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T:: W
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epsilon:: W
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phi:: W
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+ d:: W
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kfs:: Array{W,1}
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krevs:: Array{W,1}
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kfsnondiff:: Array{W,1}
@@ -866,6 +875,7 @@ function ConstantTLiqFilmDomain(; phase::Z, initialconds::Dict{X,E}, constantspe
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V = 0.0
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P = 1.0e8
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phi = 0.0
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+ d = 0.0
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epsilon = 0.0
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y0 = zeros (length (phase. species) + 1 )
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spnames = [x. name for x in phase. species]
@@ -879,6 +889,10 @@ function ConstantTLiqFilmDomain(; phase::Z, initialconds::Dict{X,E}, constantspe
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y0[end ] = val
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elseif key == " epsilon"
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epsilon = val
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+ elseif key == " Phi"
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+ phi = val
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+ elseif key == " d"
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+ d = val
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else
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ind = findfirst (isequal (key), spnames)
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@assert typeof (ind) <: Integer " $key not found in species list: $spnames "
@@ -922,7 +936,7 @@ function ConstantTLiqFilmDomain(; phase::Z, initialconds::Dict{X,E}, constantspe
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end
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rxnarray = getreactionindices (phase)
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return ConstantTLiqFilmDomain (phase, [1 , length (phase. species), length (phase. species) + 1 ], [1 , length (phase. species) + length (phase. reactions)], constspcinds,
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- T, epsilon, phi, kfs, krevs, kfsnondiff, efficiencyinds, Gs, rxnarray, mu, diffs, jacobian, sensitivity, false , MVector (false ), MVector (0.0 ), p, Dict {String,Int64} ([" V" => length (phase. species) + 1 ])), y0, p
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+ T, epsilon, phi, d, kfs, krevs, kfsnondiff, efficiencyinds, Gs, rxnarray, mu, diffs, jacobian, sensitivity, false , MVector (false ), MVector (0.0 ), p, Dict {String,Int64} ([" V" => length (phase. species) + 1 ])), y0, p
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end
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export ConstantTLiqFilmDomain
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