diff --git a/src/TestReactors.jl b/src/TestReactors.jl index 08d673b3..0f5ee0f3 100644 --- a/src/TestReactors.jl +++ b/src/TestReactors.jl @@ -536,15 +536,15 @@ using DataFrames interfacerxns = phaseDict[Set(["gas", "surface"])]["Reactions"] ig = IdealGas(gasspcs, gasrxns; name="gas") - cat = IdealSurface(surfacespcs, surfacerxns, 2.486e-5; name="surface") + catalyst = IdealSurface(surfacespcs, surfacerxns, 2.486e-5; name="surface") initialconds = Dict(["T" => 800.0, "P" => 1.0e5, "O2" => 0.2, "N2" => 0.7, "CH4" => 0.1]) domaingas, y0gas, pgas = ConstantTPDomain(phase=ig, initialconds=initialconds,) V = 8.314 * 800.0 / 1.0e5 A = 1.0e5 * V - initialconds = Dict(["T" => 800.0, "A" => A, "vacantX" => cat.sitedensity * A]) - domaincat, y0cat, pcat = ConstantTAPhiDomain(phase=cat, initialconds=initialconds,) + initialconds = Dict(["T" => 800.0, "A" => A, "vacantX" => catalyst.sitedensity * A]) + domaincat, y0cat, pcat = ConstantTAPhiDomain(phase=catalyst, initialconds=initialconds,) inter, pinter = ReactiveInternalInterfaceConstantTPhi(domaingas, domaincat, interfacerxns, 800.0, A) @@ -567,15 +567,15 @@ using DataFrames interfacerxns = phaseDict[Set(["gas", "surface"])]["Reactions"] ig = IdealGas(gasspcs, gasrxns; name="gas") - cat = IdealSurface(surfacespcs, surfacerxns, 2.486e-5; name="surface") + catalyst = IdealSurface(surfacespcs, surfacerxns, 2.486e-5; name="surface") initialconds = Dict(["T" => 800.0, "P" => 1.0e5, "O2" => 0.2, "N2" => 0.7, "CH4" => 0.1]) domaingas, y0gas, pgas = ConstantVDomain(phase=ig, initialconds=initialconds,) V = 8.314 * 800.0 / 1.0e5 A = 1.0e5 * V - initialconds = Dict(["T" => 800.0, "A" => A, "vacantX" => cat.sitedensity * A]) - domaincat, y0cat, pcat = ConstantTAPhiDomain(phase=cat, initialconds=initialconds,) + initialconds = Dict(["T" => 800.0, "A" => A, "vacantX" => catalyst.sitedensity * A]) + domaincat, y0cat, pcat = ConstantTAPhiDomain(phase=catalyst, initialconds=initialconds,) inter, pinter = ReactiveInternalInterface(domaingas, domaincat, interfacerxns, A)