@@ -826,9 +826,9 @@ function FragmentBasedConstantTrhoDomain(; phase::Z, initialconds::Dict{X,E}, co
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end
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C = N/ V
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- dGrxns = - (phase. stoichmatrix* Gs)
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- kfs,krevs = getkfkrevs (phase,T,P,C,N,ns,Gs,diffs,V,0.0 , 0.0 )
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- kfsnondiff = getkfs (phase,T,P,C,ns,V,0.0 ,dGrxns,0.0 )
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+ dGrxns = - (phase. stoichmatrix* Gs). + phase . electronchange .* (phi * F)
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+ kfs,krevs = getkfkrevs (phase,T,P,C,N,ns,Gs,diffs,V,phi,d )
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+ kfsnondiff = getkfs (phase,T,P,C,ns,V,phi ,dGrxns,d )
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p = vcat (Gs,kfsnondiff)
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if sparse
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jacobian = zeros (typeof (T), length (getphasespecies (phase)), length (getphasespecies (phase)))
@@ -926,8 +926,8 @@ function ConstantTLiqFilmDomain(; phase::Z, initialconds::Dict{X,E}, constantspe
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end
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P = 1.0e8 # essentiallly assuming this is a liquid
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C = N / V
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- kfs, krevs = getkfkrevs (phase, T, P, C, N, ns, Gs, diffs, V, phi)
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- kfsnondiff = getkfs (phase, T, P, C, ns, V, phi)
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+ kfs, krevs = getkfkrevs (phase, T, P, C, N, ns, Gs, diffs, V, phi, d )
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+ kfsnondiff = getkfs (phase, T, P, C, ns, V, phi, d )
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p = vcat (Gs, kfsnondiff)
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if sparse
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jacobian = zeros (typeof (T), length (phase. species), length (phase. species))
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