Breakthrough curve
This example simulates the direct column breakthrough (DCB) of Haghpanah et al. (2013), and how the heat released by adsorption shapes it. A two-component flue gas (CO₂ and N₂) is fed into a column of zeolite 13X initially filled with N₂, until CO₂ breaks through at the outlet. A breakthrough is a single step rather than a cycle, so it is run once with simulate.
julia
import Mocca
using Mocca.UnitsGas, adsorbent and column
The gas, adsorbent and column of the paper; the process from its parts example sets them up from their parameters.
julia
gas = Mocca.haghpanah_2013_gas()
feed = Mocca.Feed(gas; composition = (CO2 = 0.15, N2 = 0.85), temperature = 298.15, pressure = 1bar)
adsorbent = Mocca.load_adsorbent("zeolite_13x_haghpanah_2013")
column = Mocca.haghpanah_2013_column()Column 1.0 m long, radius 0.1445 m (wall to 0.162 m), bed porosity 0.37The gas velocity follows Darcy's law,
with the permeability k of a packed bed of particles of diameter
add_bed! computes it, and the axial dispersion, from the adsorbent and column. In the DCB of the paper no heat leaves the column, so the bed is adiabatic.
julia
ncells = 200
fs = Mocca.Flowsheet(gas, feed)
Mocca.add_bed!(fs, :Bed, adsorbent, column; ncells = ncells, thermal = Mocca.Adiabatic())
Mocca.add_device!(fs, :V_feed, :feed; at = (:Bed, :bottom))
Mocca.add_device!(fs, :V_product, :product; at = (:Bed, :top))Flowsheet with 1 unit and 2 devices for CO2, N2
Bed: fixed bed of zeolite 13X, 200 cells
bottom V_feed (feed), from boundary at 1.0 bar
top V_product (product), to boundary at 1.0 barThe breakthrough as a one-step cycle
A single adsorption step of 5000 s at an interstitial velocity of 1 m/s. The column starts at the feed pressure, the lowest pressure of this cycle, full of nitrogen.
julia
cycle = Mocca.Cycle([Mocca.Adsorb(5000.0; velocity = 1.0)])
process = Mocca.Process(fs, cycle; timestepping = Mocca.TimeStepping(max_dt = 5000.0, first_dt = 5000.0))Process: CO2/N2 feed at 1.0 bar, 298.15 K, capturing CO2
Bed: fixed bed of zeolite 13X, 200 cells
bottom V_feed (feed), from boundary at 1.0 bar
top V_product (product), to boundary at 1.0 bar
cycle of 1 stages, 5000.0 s:
adsorption 5000.0 s V_feed, V_productRun the simulation
One report step of 5000 s, which the solver divides according to target changes of the state variables of the bed per step.
julia
selector = (Bed = (y = 0.01, Temperature = 10.0, Pressure = 10.0),)
result = Mocca.simulate(process; timestep_selector_cfg = selector)Mocca.Interface.ProcessResult(Process("", Flowsheet(UnitNetwork(Dict{Symbol, Jutul.SimulationModel{<:Any, <:MoccaSystem, <:Any, <:Any}}(:Bed => Jutul.SimulationModel{Jutul.DiscretizedDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, @NamedTuple{mass_flow::Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}}, Dict{Jutul.JutulEntity, Int64}, Jutul.TrivialGlobalMap}, FixedBed{2, Float64, DualSiteLangmuir{2, Float64}, LinearDrivingForce{Float64, Float64}, Adiabatic}, Jutul.FullyImplicitFormulation, Jutul.DefaultContext, Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}, Vector{Symbol}, OrderedCollections.OrderedDict{Symbol, Any}}(DiscretizedDomain with CartesianMesh (3D) with 200x1x1=200 cells and discretizations for mass_flow
, FixedBed{2, Float64, DualSiteLangmuir{2, Float64}, LinearDrivingForce{Float64, Float64}, Adiabatic}(["CO2", "N2"], [0.04401, 0.028], [697.5687, 1096.4], [697.5687, 1096.4], DualSiteLangmuir{2, Float64}([3489.44, 6613.551], [8.65e-7, 2.5e-6], [-36641.21, -15800.0], [2872.35, 0.0], [2.63e-8, 0.0], [-35690.66, 0.0], [-38690.992593180876, -18278.95618937]), LinearDrivingForce{Float64, Float64}(1.6e-5, 3.0, 0.35, 0.002), Adiabatic()), Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), Jutul.FullyImplicitFormulation(), Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}(CartesianMesh (3D) with 200x1x1=200 cells, Dict{Jutul.JutulEntity, Int64}(Jutul.NoEntity() => 1, Unit() => 1, Jutul.Cells() => 200, Jutul.Faces() => 199, Jutul.BoundaryFaces() => 802, Jutul.HalfFaces() => 398), OrderedCollections.OrderedDict{Symbol, Any}(:porosity => ([0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37 … 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37], Jutul.Cells()), :permeability => ([3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9 … 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9], Jutul.Cells()), :neighbors => ([1 2 … 198 199; 2 3 … 199 200], Jutul.Faces()), :areas => ([0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828 … 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828], Jutul.Faces()), :normals => ([1.0 1.0 … 1.0 1.0; 0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0], Jutul.Faces()), :face_centroids => ([0.005 0.01 … 0.9899999999999999 0.9949999999999999; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353], Jutul.Faces()), :cell_centroids => ([0.0025 0.0075 … 0.9924999999999999 0.9974999999999999; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353], Jutul.Cells()), :volumes => ([0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914 … 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914], Jutul.Cells()), :half_face_cells => ([1, 2, 2, 3, 3, 4, 4, 5, 5, 6 … 195, 196, 196, 197, 197, 198, 198, 199, 199, 200], Jutul.HalfFaces()), :half_face_faces => ([1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], Jutul.HalfFaces())…)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:Pressure => Mocca.Framework.Pressure(1000.0, Inf, 0.2, 100000.0), :y => Mocca.Framework.GasMoleFractions(0.2), :AdsorbedConcentration => Mocca.Balances.AdsorbedConcentration(), :Temperature => Mocca.Framework.Temperature(200.0, Inf, 0.2)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:TotalMolarConcentration => Mocca.Balances.TotalMolarConcentration(), :MolarConcentration => Mocca.Balances.MolarConcentration(), :AverageMolarMass => Mocca.Balances.AverageMolarMass(), :ComponentMasses => Mocca.Balances.ComponentMasses(), :AdsorptionMassTransfer => Mocca.Balances.AdsorptionMassTransfer(), :AdsorbedLoading => Mocca.Balances.AdsorbedLoading(), :ColumnConservedEnergy => Mocca.Balances.ColumnEnergy(), :ConservedPressure => Mocca.Balances.ConservedPressure(), :ΔH => Mocca.Balances.EnthalpyChange(), :C_pa => Mocca.Balances.SpecificHeatCapacityAdsorbent()…), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:Transmissibilities => Mocca.Balances.Transmissibilities(), :SolidVolume => Mocca.Balances.BulkVolume(), :FluidVolume => Mocca.Balances.FluidVolume(), :WallAreaOut => Mocca.Balances.WallArea{:out}(), :WallAreaIn => Mocca.Balances.WallArea{:in}(), :CellDx => Mocca.Balances.CellDx(), :Permeability => Mocca.Balances.Permeability(), :ThermalConductivities => Mocca.Balances.ThermalConductivities(), :DispersionTransmissibilities => Mocca.Balances.DispersionTransmissibilities(), :AxialDispersion => Mocca.Balances.AxialDispersion()…), OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}(:mass_conservation => Jutul.ConservationLaw{:ComponentMasses, Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}, Jutul.DefaultFlux, 2}(Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}(Jutul.TPFA{Int64}[Jutul.TPFA{Int64}(1, 2, 1), Jutul.TPFA{Int64}(2, 3, 1), Jutul.TPFA{Int64}(3, 4, 1), Jutul.TPFA{Int64}(4, 5, 1), Jutul.TPFA{Int64}(5, 6, 1), Jutul.TPFA{Int64}(6, 7, 1), Jutul.TPFA{Int64}(7, 8, 1), Jutul.TPFA{Int64}(8, 9, 1), Jutul.TPFA{Int64}(9, 10, 1), Jutul.TPFA{Int64}(10, 11, 1) … Jutul.TPFA{Int64}(190, 191, 1), Jutul.TPFA{Int64}(191, 192, 1), Jutul.TPFA{Int64}(192, 193, 1), Jutul.TPFA{Int64}(193, 194, 1), Jutul.TPFA{Int64}(194, 195, 1), Jutul.TPFA{Int64}(195, 196, 1), Jutul.TPFA{Int64}(196, 197, 1), Jutul.TPFA{Int64}(197, 198, 1), Jutul.TPFA{Int64}(198, 199, 1), Jutul.TPFA{Int64}(199, 200, 1)], Jutul.SPU{Int64}[Jutul.SPU{Int64}(1, 2), Jutul.SPU{Int64}(2, 3), Jutul.SPU{Int64}(3, 4), Jutul.SPU{Int64}(4, 5), Jutul.SPU{Int64}(5, 6), Jutul.SPU{Int64}(6, 7), Jutul.SPU{Int64}(7, 8), Jutul.SPU{Int64}(8, 9), Jutul.SPU{Int64}(9, 10), Jutul.SPU{Int64}(10, 11) … Jutul.SPU{Int64}(190, 191), Jutul.SPU{Int64}(191, 192), Jutul.SPU{Int64}(192, 193), Jutul.SPU{Int64}(193, 194), Jutul.SPU{Int64}(194, 195), Jutul.SPU{Int64}(195, 196), Jutul.SPU{Int64}(196, 197), Jutul.SPU{Int64}(197, 198), Jutul.SPU{Int64}(198, 199), Jutul.SPU{Int64}(199, 200)], (cells = [2, 1, 3, 2, 4, 3, 5, 4, 6, 5 … 196, 195, 197, 196, 198, 197, 199, 198, 200, 199], faces = [1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], face_pos = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 … 382, 384, 386, 388, 390, 392, 394, 396, 398, 399], face_sign = [1, -1, 1, -1, 1, -1, 1, -1, 1, -1 … 1, -1, 1, -1, 1, -1, 1, -1, 1, -1])), Jutul.DefaultFlux()), :mass_transfer => Jutul.ConservationLaw{:AdsorbedLoading, Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}, Jutul.DefaultFlux, 2}(Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}(Jutul.TPFA{Int64}[Jutul.TPFA{Int64}(1, 2, 1), Jutul.TPFA{Int64}(2, 3, 1), Jutul.TPFA{Int64}(3, 4, 1), Jutul.TPFA{Int64}(4, 5, 1), Jutul.TPFA{Int64}(5, 6, 1), Jutul.TPFA{Int64}(6, 7, 1), Jutul.TPFA{Int64}(7, 8, 1), Jutul.TPFA{Int64}(8, 9, 1), Jutul.TPFA{Int64}(9, 10, 1), Jutul.TPFA{Int64}(10, 11, 1) … Jutul.TPFA{Int64}(190, 191, 1), Jutul.TPFA{Int64}(191, 192, 1), Jutul.TPFA{Int64}(192, 193, 1), Jutul.TPFA{Int64}(193, 194, 1), Jutul.TPFA{Int64}(194, 195, 1), Jutul.TPFA{Int64}(195, 196, 1), Jutul.TPFA{Int64}(196, 197, 1), Jutul.TPFA{Int64}(197, 198, 1), Jutul.TPFA{Int64}(198, 199, 1), Jutul.TPFA{Int64}(199, 200, 1)], Jutul.SPU{Int64}[Jutul.SPU{Int64}(1, 2), Jutul.SPU{Int64}(2, 3), Jutul.SPU{Int64}(3, 4), Jutul.SPU{Int64}(4, 5), Jutul.SPU{Int64}(5, 6), Jutul.SPU{Int64}(6, 7), Jutul.SPU{Int64}(7, 8), Jutul.SPU{Int64}(8, 9), Jutul.SPU{Int64}(9, 10), Jutul.SPU{Int64}(10, 11) … Jutul.SPU{Int64}(190, 191), Jutul.SPU{Int64}(191, 192), Jutul.SPU{Int64}(192, 193), Jutul.SPU{Int64}(193, 194), Jutul.SPU{Int64}(194, 195), Jutul.SPU{Int64}(195, 196), Jutul.SPU{Int64}(196, 197), Jutul.SPU{Int64}(197, 198), Jutul.SPU{Int64}(198, 199), Jutul.SPU{Int64}(199, 200)], (cells = [2, 1, 3, 2, 4, 3, 5, 4, 6, 5 … 196, 195, 197, 196, 198, 197, 199, 198, 200, 199], faces = [1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], face_pos = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 … 382, 384, 386, 388, 390, 392, 394, 396, 398, 399], face_sign = [1, -1, 1, -1, 1, -1, 1, -1, 1, -1 … 1, -1, 1, -1, 1, -1, 1, -1, 1, -1])), Jutul.DefaultFlux()), :energy_column => Jutul.ConservationLaw{:ColumnConservedEnergy, Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}, Jutul.DefaultFlux, 1}(Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}(Jutul.TPFA{Int64}[Jutul.TPFA{Int64}(1, 2, 1), Jutul.TPFA{Int64}(2, 3, 1), Jutul.TPFA{Int64}(3, 4, 1), Jutul.TPFA{Int64}(4, 5, 1), Jutul.TPFA{Int64}(5, 6, 1), Jutul.TPFA{Int64}(6, 7, 1), Jutul.TPFA{Int64}(7, 8, 1), Jutul.TPFA{Int64}(8, 9, 1), Jutul.TPFA{Int64}(9, 10, 1), Jutul.TPFA{Int64}(10, 11, 1) … Jutul.TPFA{Int64}(190, 191, 1), Jutul.TPFA{Int64}(191, 192, 1), Jutul.TPFA{Int64}(192, 193, 1), Jutul.TPFA{Int64}(193, 194, 1), Jutul.TPFA{Int64}(194, 195, 1), Jutul.TPFA{Int64}(195, 196, 1), Jutul.TPFA{Int64}(196, 197, 1), Jutul.TPFA{Int64}(197, 198, 1), Jutul.TPFA{Int64}(198, 199, 1), Jutul.TPFA{Int64}(199, 200, 1)], Jutul.SPU{Int64}[Jutul.SPU{Int64}(1, 2), Jutul.SPU{Int64}(2, 3), Jutul.SPU{Int64}(3, 4), Jutul.SPU{Int64}(4, 5), Jutul.SPU{Int64}(5, 6), Jutul.SPU{Int64}(6, 7), Jutul.SPU{Int64}(7, 8), Jutul.SPU{Int64}(8, 9), Jutul.SPU{Int64}(9, 10), Jutul.SPU{Int64}(10, 11) … Jutul.SPU{Int64}(190, 191), Jutul.SPU{Int64}(191, 192), Jutul.SPU{Int64}(192, 193), Jutul.SPU{Int64}(193, 194), Jutul.SPU{Int64}(194, 195), Jutul.SPU{Int64}(195, 196), Jutul.SPU{Int64}(196, 197), Jutul.SPU{Int64}(197, 198), Jutul.SPU{Int64}(198, 199), Jutul.SPU{Int64}(199, 200)], (cells = [2, 1, 3, 2, 4, 3, 5, 4, 6, 5 … 196, 195, 197, 196, 198, 197, 199, 198, 200, 199], faces = [1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], face_pos = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 … 382, 384, 386, 388, 390, 392, 394, 396, 398, 399], face_sign = [1, -1, 1, -1, 1, -1, 1, -1, 1, -1 … 1, -1, 1, -1, 1, -1, 1, -1, 1, -1])), Jutul.DefaultFlux())), [:Pressure, :y, :AdsorbedConcentration, :Temperature], OrderedCollections.OrderedDict{Symbol, Any}(), 1), :V_feed => Jutul.SimulationModel{Jutul.DiscretizedDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Nothing, Dict{Jutul.JutulEntity, Int64}, Jutul.TrivialGlobalMap}, FlowDevice, Jutul.FullyImplicitFormulation, Jutul.DefaultContext, Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}, Vector{Symbol}, OrderedCollections.OrderedDict{Symbol, Any}}(DiscretizedDomain with CartesianMesh (3D) with 1x1x1=1 cells
, FlowDevice(["CO2", "N2"]), Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), Jutul.FullyImplicitFormulation(), Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}(CartesianMesh (3D) with 1x1x1=1 cells, Dict{Jutul.JutulEntity, Int64}(Jutul.NoEntity() => 1, Unit() => 1, Jutul.Cells() => 1, Jutul.Faces() => 0, Jutul.BoundaryFaces() => 6, Jutul.HalfFaces() => 0), OrderedCollections.OrderedDict{Symbol, Any}(:neighbors => (Matrix{Int64}(undef, 2, 0), Jutul.Faces()), :areas => (Float64[], Jutul.Faces()), :normals => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :face_centroids => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :cell_centroids => ([0.5; 0.5; 0.5;;], Jutul.Cells()), :volumes => ([1.0], Jutul.Cells()), :half_face_cells => (Int64[], Jutul.HalfFaces()), :half_face_faces => (Int64[], Jutul.HalfFaces()), :boundary_areas => ([1.0, 1.0, 1.0, 1.0, 1.0, 1.0], Jutul.BoundaryFaces()), :boundary_centroids => ([0.0 1.0 … 0.5 0.5; 0.5 0.5 … 0.5 0.5; 0.5 0.5 … 0.0 1.0], Jutul.BoundaryFaces())…)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:InletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :InletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :InletComposition => Mocca.Framework.GasMoleFractions(Inf), :OutletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :OutletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :OutletComposition => Mocca.Framework.GasMoleFractions(Inf), :MolarFlow => Mocca.Devices.DeviceMolarFlow()), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}(:inlet_state => Mocca.Devices.PortStateEquation{1}(), :outlet_state => Mocca.Devices.PortStateEquation{2}(), :device_law => Mocca.Devices.DeviceLawEquation()), [:InletPressure, :InletTemperature, :InletComposition, :OutletPressure, :OutletTemperature, :OutletComposition, :MolarFlow], OrderedCollections.OrderedDict{Symbol, Any}(), 1), :V_product => Jutul.SimulationModel{Jutul.DiscretizedDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Nothing, Dict{Jutul.JutulEntity, Int64}, Jutul.TrivialGlobalMap}, FlowDevice, Jutul.FullyImplicitFormulation, Jutul.DefaultContext, Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}, Vector{Symbol}, OrderedCollections.OrderedDict{Symbol, Any}}(DiscretizedDomain with CartesianMesh (3D) with 1x1x1=1 cells
, FlowDevice(["CO2", "N2"]), Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), Jutul.FullyImplicitFormulation(), Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}(CartesianMesh (3D) with 1x1x1=1 cells, Dict{Jutul.JutulEntity, Int64}(Jutul.NoEntity() => 1, Unit() => 1, Jutul.Cells() => 1, Jutul.Faces() => 0, Jutul.BoundaryFaces() => 6, Jutul.HalfFaces() => 0), OrderedCollections.OrderedDict{Symbol, Any}(:neighbors => (Matrix{Int64}(undef, 2, 0), Jutul.Faces()), :areas => (Float64[], Jutul.Faces()), :normals => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :face_centroids => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :cell_centroids => ([0.5; 0.5; 0.5;;], Jutul.Cells()), :volumes => ([1.0], Jutul.Cells()), :half_face_cells => (Int64[], Jutul.HalfFaces()), :half_face_faces => (Int64[], Jutul.HalfFaces()), :boundary_areas => ([1.0, 1.0, 1.0, 1.0, 1.0, 1.0], Jutul.BoundaryFaces()), :boundary_centroids => ([0.0 1.0 … 0.5 0.5; 0.5 0.5 … 0.5 0.5; 0.5 0.5 … 0.0 1.0], Jutul.BoundaryFaces())…)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:InletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :InletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :InletComposition => Mocca.Framework.GasMoleFractions(Inf), :OutletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :OutletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :OutletComposition => Mocca.Framework.GasMoleFractions(Inf), :MolarFlow => Mocca.Devices.DeviceMolarFlow()), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}(:inlet_state => Mocca.Devices.PortStateEquation{1}(), :outlet_state => Mocca.Devices.PortStateEquation{2}(), :device_law => Mocca.Devices.DeviceLawEquation()), [:InletPressure, :InletTemperature, :InletComposition, :OutletPressure, :OutletTemperature, :OutletComposition, :MolarFlow], OrderedCollections.OrderedDict{Symbol, Any}(), 1)), [:Bed, :V_feed, :V_product], AbstractConnection[StreamConnection(PortRef(:Bed, :bottom), PortRef(:V_feed, :outlet)), StreamConnection(PortRef(:Bed, :top), PortRef(:V_product, :inlet))], Dict{PortRef, PortCondition}(PortRef(:V_product, :outlet) => PortCondition{Float64, Float64, Vector{Float64}}(100000.0, 298.15, [1.0e-10, 0.9999999999000001]), PortRef(:V_feed, :inlet) => PortCondition{Float64, Float64, Vector{Float64}}(100000.0, 298.15, [0.15, 0.85]))), Gas(["CO2", "N2"], [0.04401, 0.028], [697.5687, 1096.4], 1.72e-5, 1.22638310956, 1.6e-5), Feed([0.15, 0.85], 298.15, 100000.0, [1.0e-10, 0.9999999999000001], false), Dict(:V_feed => :feed, :V_product => :product), Dict{Symbol, Mocca.Interface.BedSpec}(:Bed => Mocca.Interface.BedSpec(Adsorbent("zeolite 13X", Mocca.Interface.DualSiteLangmuirData(["CO2", "N2"], [3489.44, 6613.551], [8.65e-7, 2.5e-6], [-36641.21, -15800.0], [2872.35, 0.0], [2.63e-8, 0.0], [-35690.66, 0.0], 298.15, :volume), 1130.0, 1070.0, 0.002, 0.35, 3.0, Dict("N2" => 1096.4, "CO2" => 697.5687), nothing, "Haghpanah et al., Ind. Eng. Chem. Res. 52 (2013) 4249, doi:10.1021/ie302658y. Capacities per m³ of adsorbent."), Column(1.0, 0.1445, 0.162, 0.37, 0.0903, Wall(7800.0, 502.0, 16.0), 8.6, 2.5, 298.15), 200, Adiabatic(), :adsorption, nothing, nothing, 1.0)), Set(PortRef[PortRef(:V_product, :outlet), PortRef(:V_feed, :inlet)])), Cycle(Pair{String, Vector{Any}}["" => [Adsorb(5000.0, 1.0, nothing, nothing, nothing, nothing, nothing, nothing, nothing, "")]], nothing), TimeStepping(5000.0, 5000.0, :auto), Mocca.Interface.ProcessOptions(1, 101325.0, 0.72, 1.4, 0.5), Dict{Symbol, Any}(), Dict{Symbol, Dict{Symbol, Any}}(), Any[], Jutul.MultiModel{nothing, Jutul.JutulStorage, Vector{Jutul.CrossTermPair}, Nothing, Jutul.DefaultContext, Dict{Symbol, Int64}, Vector{Jutul.DeviceExecutionMode}}(Jutul.JutulStorage(OrderedCollections.OrderedDict{Symbol, Any}(:Bed => Jutul.SimulationModel{Jutul.DiscretizedDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, @NamedTuple{mass_flow::Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}}, Dict{Jutul.JutulEntity, Int64}, Jutul.TrivialGlobalMap}, FixedBed{2, Float64, DualSiteLangmuir{2, Float64}, LinearDrivingForce{Float64, Float64}, Adiabatic}, Jutul.FullyImplicitFormulation, Jutul.DefaultContext, Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}, Vector{Symbol}, OrderedCollections.OrderedDict{Symbol, Any}}(DiscretizedDomain with CartesianMesh (3D) with 200x1x1=200 cells and discretizations for mass_flow
, FixedBed{2, Float64, DualSiteLangmuir{2, Float64}, LinearDrivingForce{Float64, Float64}, Adiabatic}(["CO2", "N2"], [0.04401, 0.028], [697.5687, 1096.4], [697.5687, 1096.4], DualSiteLangmuir{2, Float64}([3489.44, 6613.551], [8.65e-7, 2.5e-6], [-36641.21, -15800.0], [2872.35, 0.0], [2.63e-8, 0.0], [-35690.66, 0.0], [-38690.992593180876, -18278.95618937]), LinearDrivingForce{Float64, Float64}(1.6e-5, 3.0, 0.35, 0.002), Adiabatic()), Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), Jutul.FullyImplicitFormulation(), Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}(CartesianMesh (3D) with 200x1x1=200 cells, Dict{Jutul.JutulEntity, Int64}(Jutul.NoEntity() => 1, Unit() => 1, Jutul.Cells() => 200, Jutul.Faces() => 199, Jutul.BoundaryFaces() => 802, Jutul.HalfFaces() => 398), OrderedCollections.OrderedDict{Symbol, Any}(:porosity => ([0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37 … 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37, 0.37], Jutul.Cells()), :permeability => ([3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9 … 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9, 3.403241790543378e-9], Jutul.Cells()), :neighbors => ([1 2 … 198 199; 2 3 … 199 200], Jutul.Faces()), :areas => ([0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828 … 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828, 0.06559724000511828], Jutul.Faces()), :normals => ([1.0 1.0 … 1.0 1.0; 0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0], Jutul.Faces()), :face_centroids => ([0.005 0.01 … 0.9899999999999999 0.9949999999999999; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353], Jutul.Faces()), :cell_centroids => ([0.0025 0.0075 … 0.9924999999999999 0.9974999999999999; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353; 0.12805979072792353 0.12805979072792353 … 0.12805979072792353 0.12805979072792353], Jutul.Cells()), :volumes => ([0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914 … 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914, 0.0003279862000255914], Jutul.Cells()), :half_face_cells => ([1, 2, 2, 3, 3, 4, 4, 5, 5, 6 … 195, 196, 196, 197, 197, 198, 198, 199, 199, 200], Jutul.HalfFaces()), :half_face_faces => ([1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], Jutul.HalfFaces())…)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:Pressure => Mocca.Framework.Pressure(1000.0, Inf, 0.2, 100000.0), :y => Mocca.Framework.GasMoleFractions(0.2), :AdsorbedConcentration => Mocca.Balances.AdsorbedConcentration(), :Temperature => Mocca.Framework.Temperature(200.0, Inf, 0.2)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:TotalMolarConcentration => Mocca.Balances.TotalMolarConcentration(), :MolarConcentration => Mocca.Balances.MolarConcentration(), :AverageMolarMass => Mocca.Balances.AverageMolarMass(), :ComponentMasses => Mocca.Balances.ComponentMasses(), :AdsorptionMassTransfer => Mocca.Balances.AdsorptionMassTransfer(), :AdsorbedLoading => Mocca.Balances.AdsorbedLoading(), :ColumnConservedEnergy => Mocca.Balances.ColumnEnergy(), :ConservedPressure => Mocca.Balances.ConservedPressure(), :ΔH => Mocca.Balances.EnthalpyChange(), :C_pa => Mocca.Balances.SpecificHeatCapacityAdsorbent()…), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:Transmissibilities => Mocca.Balances.Transmissibilities(), :SolidVolume => Mocca.Balances.BulkVolume(), :FluidVolume => Mocca.Balances.FluidVolume(), :WallAreaOut => Mocca.Balances.WallArea{:out}(), :WallAreaIn => Mocca.Balances.WallArea{:in}(), :CellDx => Mocca.Balances.CellDx(), :Permeability => Mocca.Balances.Permeability(), :ThermalConductivities => Mocca.Balances.ThermalConductivities(), :DispersionTransmissibilities => Mocca.Balances.DispersionTransmissibilities(), :AxialDispersion => Mocca.Balances.AxialDispersion()…), OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}(:mass_conservation => Jutul.ConservationLaw{:ComponentMasses, Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}, Jutul.DefaultFlux, 2}(Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}(Jutul.TPFA{Int64}[Jutul.TPFA{Int64}(1, 2, 1), Jutul.TPFA{Int64}(2, 3, 1), Jutul.TPFA{Int64}(3, 4, 1), Jutul.TPFA{Int64}(4, 5, 1), Jutul.TPFA{Int64}(5, 6, 1), Jutul.TPFA{Int64}(6, 7, 1), Jutul.TPFA{Int64}(7, 8, 1), Jutul.TPFA{Int64}(8, 9, 1), Jutul.TPFA{Int64}(9, 10, 1), Jutul.TPFA{Int64}(10, 11, 1) … Jutul.TPFA{Int64}(190, 191, 1), Jutul.TPFA{Int64}(191, 192, 1), Jutul.TPFA{Int64}(192, 193, 1), Jutul.TPFA{Int64}(193, 194, 1), Jutul.TPFA{Int64}(194, 195, 1), Jutul.TPFA{Int64}(195, 196, 1), Jutul.TPFA{Int64}(196, 197, 1), Jutul.TPFA{Int64}(197, 198, 1), Jutul.TPFA{Int64}(198, 199, 1), Jutul.TPFA{Int64}(199, 200, 1)], Jutul.SPU{Int64}[Jutul.SPU{Int64}(1, 2), Jutul.SPU{Int64}(2, 3), Jutul.SPU{Int64}(3, 4), Jutul.SPU{Int64}(4, 5), Jutul.SPU{Int64}(5, 6), Jutul.SPU{Int64}(6, 7), Jutul.SPU{Int64}(7, 8), Jutul.SPU{Int64}(8, 9), Jutul.SPU{Int64}(9, 10), Jutul.SPU{Int64}(10, 11) … Jutul.SPU{Int64}(190, 191), Jutul.SPU{Int64}(191, 192), Jutul.SPU{Int64}(192, 193), Jutul.SPU{Int64}(193, 194), Jutul.SPU{Int64}(194, 195), Jutul.SPU{Int64}(195, 196), Jutul.SPU{Int64}(196, 197), Jutul.SPU{Int64}(197, 198), Jutul.SPU{Int64}(198, 199), Jutul.SPU{Int64}(199, 200)], (cells = [2, 1, 3, 2, 4, 3, 5, 4, 6, 5 … 196, 195, 197, 196, 198, 197, 199, 198, 200, 199], faces = [1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], face_pos = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 … 382, 384, 386, 388, 390, 392, 394, 396, 398, 399], face_sign = [1, -1, 1, -1, 1, -1, 1, -1, 1, -1 … 1, -1, 1, -1, 1, -1, 1, -1, 1, -1])), Jutul.DefaultFlux()), :mass_transfer => Jutul.ConservationLaw{:AdsorbedLoading, Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}, Jutul.DefaultFlux, 2}(Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}(Jutul.TPFA{Int64}[Jutul.TPFA{Int64}(1, 2, 1), Jutul.TPFA{Int64}(2, 3, 1), Jutul.TPFA{Int64}(3, 4, 1), Jutul.TPFA{Int64}(4, 5, 1), Jutul.TPFA{Int64}(5, 6, 1), Jutul.TPFA{Int64}(6, 7, 1), Jutul.TPFA{Int64}(7, 8, 1), Jutul.TPFA{Int64}(8, 9, 1), Jutul.TPFA{Int64}(9, 10, 1), Jutul.TPFA{Int64}(10, 11, 1) … Jutul.TPFA{Int64}(190, 191, 1), Jutul.TPFA{Int64}(191, 192, 1), Jutul.TPFA{Int64}(192, 193, 1), Jutul.TPFA{Int64}(193, 194, 1), Jutul.TPFA{Int64}(194, 195, 1), Jutul.TPFA{Int64}(195, 196, 1), Jutul.TPFA{Int64}(196, 197, 1), Jutul.TPFA{Int64}(197, 198, 1), Jutul.TPFA{Int64}(198, 199, 1), Jutul.TPFA{Int64}(199, 200, 1)], Jutul.SPU{Int64}[Jutul.SPU{Int64}(1, 2), Jutul.SPU{Int64}(2, 3), Jutul.SPU{Int64}(3, 4), Jutul.SPU{Int64}(4, 5), Jutul.SPU{Int64}(5, 6), Jutul.SPU{Int64}(6, 7), Jutul.SPU{Int64}(7, 8), Jutul.SPU{Int64}(8, 9), Jutul.SPU{Int64}(9, 10), Jutul.SPU{Int64}(10, 11) … Jutul.SPU{Int64}(190, 191), Jutul.SPU{Int64}(191, 192), Jutul.SPU{Int64}(192, 193), Jutul.SPU{Int64}(193, 194), Jutul.SPU{Int64}(194, 195), Jutul.SPU{Int64}(195, 196), Jutul.SPU{Int64}(196, 197), Jutul.SPU{Int64}(197, 198), Jutul.SPU{Int64}(198, 199), Jutul.SPU{Int64}(199, 200)], (cells = [2, 1, 3, 2, 4, 3, 5, 4, 6, 5 … 196, 195, 197, 196, 198, 197, 199, 198, 200, 199], faces = [1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], face_pos = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 … 382, 384, 386, 388, 390, 392, 394, 396, 398, 399], face_sign = [1, -1, 1, -1, 1, -1, 1, -1, 1, -1 … 1, -1, 1, -1, 1, -1, 1, -1, 1, -1])), Jutul.DefaultFlux()), :energy_column => Jutul.ConservationLaw{:ColumnConservedEnergy, Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}, Jutul.DefaultFlux, 1}(Jutul.PotentialFlow{:generic, Vector{Jutul.TPFA{Int64}}, Vector{Jutul.SPU{Int64}}, @NamedTuple{cells::Vector{Int64}, faces::Vector{Int64}, face_pos::Vector{Int64}, face_sign::Vector{Int64}}}(Jutul.TPFA{Int64}[Jutul.TPFA{Int64}(1, 2, 1), Jutul.TPFA{Int64}(2, 3, 1), Jutul.TPFA{Int64}(3, 4, 1), Jutul.TPFA{Int64}(4, 5, 1), Jutul.TPFA{Int64}(5, 6, 1), Jutul.TPFA{Int64}(6, 7, 1), Jutul.TPFA{Int64}(7, 8, 1), Jutul.TPFA{Int64}(8, 9, 1), Jutul.TPFA{Int64}(9, 10, 1), Jutul.TPFA{Int64}(10, 11, 1) … Jutul.TPFA{Int64}(190, 191, 1), Jutul.TPFA{Int64}(191, 192, 1), Jutul.TPFA{Int64}(192, 193, 1), Jutul.TPFA{Int64}(193, 194, 1), Jutul.TPFA{Int64}(194, 195, 1), Jutul.TPFA{Int64}(195, 196, 1), Jutul.TPFA{Int64}(196, 197, 1), Jutul.TPFA{Int64}(197, 198, 1), Jutul.TPFA{Int64}(198, 199, 1), Jutul.TPFA{Int64}(199, 200, 1)], Jutul.SPU{Int64}[Jutul.SPU{Int64}(1, 2), Jutul.SPU{Int64}(2, 3), Jutul.SPU{Int64}(3, 4), Jutul.SPU{Int64}(4, 5), Jutul.SPU{Int64}(5, 6), Jutul.SPU{Int64}(6, 7), Jutul.SPU{Int64}(7, 8), Jutul.SPU{Int64}(8, 9), Jutul.SPU{Int64}(9, 10), Jutul.SPU{Int64}(10, 11) … Jutul.SPU{Int64}(190, 191), Jutul.SPU{Int64}(191, 192), Jutul.SPU{Int64}(192, 193), Jutul.SPU{Int64}(193, 194), Jutul.SPU{Int64}(194, 195), Jutul.SPU{Int64}(195, 196), Jutul.SPU{Int64}(196, 197), Jutul.SPU{Int64}(197, 198), Jutul.SPU{Int64}(198, 199), Jutul.SPU{Int64}(199, 200)], (cells = [2, 1, 3, 2, 4, 3, 5, 4, 6, 5 … 196, 195, 197, 196, 198, 197, 199, 198, 200, 199], faces = [1, 1, 2, 2, 3, 3, 4, 4, 5, 5 … 195, 195, 196, 196, 197, 197, 198, 198, 199, 199], face_pos = [1, 2, 4, 6, 8, 10, 12, 14, 16, 18 … 382, 384, 386, 388, 390, 392, 394, 396, 398, 399], face_sign = [1, -1, 1, -1, 1, -1, 1, -1, 1, -1 … 1, -1, 1, -1, 1, -1, 1, -1, 1, -1])), Jutul.DefaultFlux())), [:Pressure, :y, :AdsorbedConcentration, :Temperature], OrderedCollections.OrderedDict{Symbol, Any}(), 1), :V_feed => Jutul.SimulationModel{Jutul.DiscretizedDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Nothing, Dict{Jutul.JutulEntity, Int64}, Jutul.TrivialGlobalMap}, FlowDevice, Jutul.FullyImplicitFormulation, Jutul.DefaultContext, Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}, Vector{Symbol}, OrderedCollections.OrderedDict{Symbol, Any}}(DiscretizedDomain with CartesianMesh (3D) with 1x1x1=1 cells
, FlowDevice(["CO2", "N2"]), Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), Jutul.FullyImplicitFormulation(), Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}(CartesianMesh (3D) with 1x1x1=1 cells, Dict{Jutul.JutulEntity, Int64}(Jutul.NoEntity() => 1, Unit() => 1, Jutul.Cells() => 1, Jutul.Faces() => 0, Jutul.BoundaryFaces() => 6, Jutul.HalfFaces() => 0), OrderedCollections.OrderedDict{Symbol, Any}(:neighbors => (Matrix{Int64}(undef, 2, 0), Jutul.Faces()), :areas => (Float64[], Jutul.Faces()), :normals => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :face_centroids => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :cell_centroids => ([0.5; 0.5; 0.5;;], Jutul.Cells()), :volumes => ([1.0], Jutul.Cells()), :half_face_cells => (Int64[], Jutul.HalfFaces()), :half_face_faces => (Int64[], Jutul.HalfFaces()), :boundary_areas => ([1.0, 1.0, 1.0, 1.0, 1.0, 1.0], Jutul.BoundaryFaces()), :boundary_centroids => ([0.0 1.0 … 0.5 0.5; 0.5 0.5 … 0.5 0.5; 0.5 0.5 … 0.0 1.0], Jutul.BoundaryFaces())…)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:InletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :InletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :InletComposition => Mocca.Framework.GasMoleFractions(Inf), :OutletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :OutletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :OutletComposition => Mocca.Framework.GasMoleFractions(Inf), :MolarFlow => Mocca.Devices.DeviceMolarFlow()), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}(:inlet_state => Mocca.Devices.PortStateEquation{1}(), :outlet_state => Mocca.Devices.PortStateEquation{2}(), :device_law => Mocca.Devices.DeviceLawEquation()), [:InletPressure, :InletTemperature, :InletComposition, :OutletPressure, :OutletTemperature, :OutletComposition, :MolarFlow], OrderedCollections.OrderedDict{Symbol, Any}(), 1), :V_product => Jutul.SimulationModel{Jutul.DiscretizedDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Nothing, Dict{Jutul.JutulEntity, Int64}, Jutul.TrivialGlobalMap}, FlowDevice, Jutul.FullyImplicitFormulation, Jutul.DefaultContext, Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}, OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}, Vector{Symbol}, OrderedCollections.OrderedDict{Symbol, Any}}(DiscretizedDomain with CartesianMesh (3D) with 1x1x1=1 cells
, FlowDevice(["CO2", "N2"]), Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), Jutul.FullyImplicitFormulation(), Jutul.DataDomain{Jutul.CartesianMesh{Tuple{Int64, Int64, Int64}, Tuple{Float64, Float64, Float64}, Vector{Float64}, Jutul.MeshEntityTags{Int64}}, Dict{Jutul.JutulEntity, Int64}, OrderedCollections.OrderedDict{Symbol, Any}}(CartesianMesh (3D) with 1x1x1=1 cells, Dict{Jutul.JutulEntity, Int64}(Jutul.NoEntity() => 1, Unit() => 1, Jutul.Cells() => 1, Jutul.Faces() => 0, Jutul.BoundaryFaces() => 6, Jutul.HalfFaces() => 0), OrderedCollections.OrderedDict{Symbol, Any}(:neighbors => (Matrix{Int64}(undef, 2, 0), Jutul.Faces()), :areas => (Float64[], Jutul.Faces()), :normals => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :face_centroids => (Matrix{Float64}(undef, 3, 0), Jutul.Faces()), :cell_centroids => ([0.5; 0.5; 0.5;;], Jutul.Cells()), :volumes => ([1.0], Jutul.Cells()), :half_face_cells => (Int64[], Jutul.HalfFaces()), :half_face_faces => (Int64[], Jutul.HalfFaces()), :boundary_areas => ([1.0, 1.0, 1.0, 1.0, 1.0, 1.0], Jutul.BoundaryFaces()), :boundary_centroids => ([0.0 1.0 … 0.5 0.5; 0.5 0.5 … 0.5 0.5; 0.5 0.5 … 0.0 1.0], Jutul.BoundaryFaces())…)), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(:InletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :InletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :InletComposition => Mocca.Framework.GasMoleFractions(Inf), :OutletPressure => Mocca.Framework.Pressure(1000.0, Inf, Inf, 100000.0), :OutletTemperature => Mocca.Framework.Temperature(200.0, Inf, Inf), :OutletComposition => Mocca.Framework.GasMoleFractions(Inf), :MolarFlow => Mocca.Devices.DeviceMolarFlow()), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulVariables}(), OrderedCollections.OrderedDict{Symbol, Jutul.JutulEquation}(:inlet_state => Mocca.Devices.PortStateEquation{1}(), :outlet_state => Mocca.Devices.PortStateEquation{2}(), :device_law => Mocca.Devices.DeviceLawEquation()), [:InletPressure, :InletTemperature, :InletComposition, :OutletPressure, :OutletTemperature, :OutletComposition, :MolarFlow], OrderedCollections.OrderedDict{Symbol, Any}(), 1)), false), Jutul.CrossTermPair[Jutul.CrossTermPair(:V_feed, :Bed, :outlet_state, :outlet_state, Mocca.Networks.PortStateCT(1)), Jutul.CrossTermPair(:Bed, :V_feed, :mass_conservation, :mass_conservation, Mocca.Networks.StreamCT(1, 2)), Jutul.CrossTermPair(:Bed, :V_feed, :energy_column, :energy_column, Mocca.Networks.StreamCT(1, 2)), Jutul.CrossTermPair(:V_product, :Bed, :inlet_state, :inlet_state, Mocca.Networks.PortStateCT(200)), Jutul.CrossTermPair(:Bed, :V_product, :mass_conservation, :mass_conservation, Mocca.Networks.StreamCT(200, 1)), Jutul.CrossTermPair(:Bed, :V_product, :energy_column, :energy_column, Mocca.Networks.StreamCT(200, 1))], nothing, Jutul.DefaultContext(Jutul.EquationMajorLayout(false), 9223372036854775807, 1), nothing, false, Dict(:Bed => 1, :V_feed => 1, :V_product => 1), Jutul.DeviceExecutionMode[Jutul.SolveFullyOnDevice, Jutul.SolveFullyOnDevice, Jutul.SolveFullyOnDevice]), Dict{Symbol, Any}(:Bed => Dict{Symbol, Any}(:BedCrossSectionArea => [0.06559724000511827], :Transmissibilities => [4.46486537059445e-8, 4.4648653705944486e-8, 4.464865370594451e-8, 4.4648653705944486e-8, 4.4648653705944486e-8, 4.4648653705944486e-8, 4.4648653705944446e-8, 4.464865370594451e-8, 4.464865370594451e-8, 4.4648653705944446e-8 … 4.464865370594445e-8, 4.464865370594445e-8, 4.464865370594544e-8, 4.464865370594445e-8, 4.464865370594445e-8, 4.464865370594445e-8, 4.464865370594445e-8, 4.464865370594445e-8, 4.464865370594445e-8, 4.464865370594445e-8], :DispersionTransmissibilities => [4.854195760378753, 4.854195760378751, 4.854195760378754, 4.854195760378752, 4.854195760378752, 4.854195760378752, 4.854195760378748, 4.854195760378755, 4.854195760378755, 4.854195760378748 … 4.854195760378749, 4.854195760378749, 4.854195760378857, 4.854195760378749, 4.854195760378749, 4.854195760378749, 4.854195760378749, 4.854195760378749, 4.854195760378749, 4.854195760378749], :TimeScale => [1.0], :AdsorbentDensity => [1130.0], :OuterHeatTransferCoeff => [2.5], :InnerHeatTransferCoeff => [8.6], :SolidVolume => [0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258 … 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258, 0.00020663130601612258], :WallAreaIn => [0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251 … 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251, 0.004539601384437251], :AdsorbentHeatCapacity => [1070.0]…), :V_feed => Dict{Symbol, Any}(), :V_product => Dict{Symbol, Any}()), Mocca.Interface.CompiledCycle(Stage[Stage("adsorption", 5000.0, Dict{Symbol, Any}(:V_feed => (law = VolumetricFlow{Float64}(0.02427097880189376), inlet = PortCondition{Float64, Float64, Vector{Float64}}(100000.0, 298.15, [0.15, 0.85])), :V_product => (law = LinearValve{Float64}(0.005191703919295869, 1.0), outlet = PortCondition{Float64, Float64, Vector{Float64}}(100000.0, 298.15, [1.0e-10, 0.9999999999000001]))))], Dict(:Bed => [100000.0, 100000.0]), Dict(:Bed => [1.0])), nothing, Mocca.Interface.WarmStart(nothing, nothing)), Any[OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [103129.22133919805, 103119.50690802728, 103109.40507702237, 103098.88826034455, 103087.94380038211, 103076.56901172454, 103064.76911132739, 103052.55566649392, 103039.94523817944, 103026.95815713854 … 100150.00934336842, 100134.22729283776, 100118.44347860341, 100102.65781809189, 100086.87022866622, 100071.0806276254, 100055.28893220388, 100039.49505957114, 100023.69892683107, 100007.90045102111], :y => [0.11375807430819164 0.09029710454194453 … 1.00184724048083e-10 1.0016331214428263e-10; 0.8862419256918084 0.9097028954580555 … 0.9999999998998154 0.9999999998998367], :AdsorbedConcentration => [128.207548126281 102.66391000959422 … 3.073280349277624e-5 3.073276583040274e-5; 39.360721450284665 48.17137385941592 … 369.20625743825343 369.16842229021853], :Temperature => [297.5475467847404, 296.70186819102764, 296.17531287862124, 295.82571462565056, 295.609722776636, 295.4996892775856, 295.4733904044981, 295.51214320082147, 295.60006121652196, 295.72361986675656 … 298.155478623688, 298.1549132388138, 298.1543477727493, 298.1537822225297, 298.153216585187, 298.1526508577509, 298.1520850372483, 298.15151912072923, 298.1509531124665, 298.1503890285308]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [103129.22133919805], :OutletTemperature => [297.5475467847404], :OutletComposition => [0.11375807430819164; 0.8862419256918084;;], :MolarFlow => [1.0097181853042785]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100007.90045102111], :InletTemperature => [298.1503890285308], :InletComposition => [1.0016331214428263e-10; 0.9999999998998367;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.6547282963533891])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102220.07736902461, 102210.82587752474, 102201.61213948781, 102192.35617347942, 102182.9961989469, 102173.48675048996, 102163.79818719736, 102153.9154216973, 102143.83581615143, 102133.5665714781 … 100109.00347420241, 100097.53576644378, 100086.06649121652, 100074.59568018094, 100063.12336501107, 100051.6495773967, 100040.17434904542, 100028.69771168464, 100017.21969706367, 100005.74033695536], :y => [0.11909367089931336 0.09692395687621615 … 1.0005812342161215e-10 1.0005269176466373e-10; 0.8809063291006867 0.9030760431237839 … 0.999999999899942 0.9999999998999474], :AdsorbedConcentration => [141.45032279468614 113.54860072758272 … 3.073281125965402e-5 3.073277209488494e-5; 30.997032145701837 37.98186136402598 … 369.20527256360396 369.1680483386545], :Temperature => [297.86363299264866, 296.90721939586996, 296.2878014095098, 295.8633935622421, 295.590038984591, 295.439311405391, 295.3873395225434, 295.41310818983936, 295.4980567319424, 295.62597956584545 … 298.1553987796233, 298.15484255230507, 298.1542862410498, 298.1537298440275, 298.1531733594061, 298.1526167853517, 298.1520601200287, 298.1515033616286, 298.15094651640226, 298.1503918053223]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102220.07736902461], :OutletTemperature => [297.86363299264866], :OutletComposition => [0.11909367089931336; 0.8809063291006867;;], :MolarFlow => [1.000816933187533]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.74033695536], :InletTemperature => [298.1503918053223], :InletComposition => [1.0005269176466373e-10; 0.9999999998999474;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.2022722133586574])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102127.51314412353, 102118.29851757019, 102109.15862994223, 102100.01068724012, 102090.78937539831, 102081.44567323773, 102071.94684070244, 102062.27538453437, 102052.42698401479, 102042.40777455895 … 100104.71864113281, 100093.70178667565, 100082.68338297479, 100071.66347137542, 100060.64209324076, 100049.61928995415, 100038.5951029212, 100027.56957357186, 100016.54274336259, 100005.51465377802], :y => [0.11955957931120513 0.09754425746450372 … 1.0004589176187135e-10 1.0004198939689619e-10; 0.8804404206887949 0.9024557425354962 … 0.9999999998999544 0.9999999998999581], :AdsorbedConcentration => [142.7779453000718 114.64264660255726 … 3.073281189100575e-5 3.07327725980186e-5; 30.354017273484747 37.14892751623411 … 369.20510738313124 369.1679887229915], :Temperature => [297.89818351022717, 296.93073940851576, 296.30183459208655, 295.869663970732, 295.5902773704794, 295.4352167397806, 295.3804691554457, 295.4047904621021, 295.4893446253891, 295.61764448665247 … 298.15538444083415, 298.15482979424326, 298.1542750634921, 298.1537202468753, 298.15316534268555, 298.1526103492139, 298.15205526474944, 298.1515000876092, 298.1509448242541, 298.15039171616365]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102127.51314412353], :OutletTemperature => [297.89818351022717], :OutletComposition => [0.11955957931120513; 0.8804404206887949;;], :MolarFlow => [0.9999106548313356]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.51465377802], :InletTemperature => [298.15039171616365], :InletComposition => [1.0004198939689619e-10; 0.9999999998999581;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1550018918648932])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102118.25033868873, 102109.039299365, 102099.9066334801, 102090.76929004284, 102081.56161680823, 102072.23424579807, 102062.75413222559, 102053.10354588571, 102043.27800097657, 102033.28352950727 … 100104.28871518842, 100093.31709814521, 100082.34393367666, 100071.36926407697, 100060.39313165876, 100049.4155787552, 100038.43664772215, 100027.45638094026, 100016.47482081705, 100005.49200978871], :y => [0.11960544418407365 0.09760579928775745 … 1.0004467459626542e-10 1.0004092423636141e-10; 0.8803945558159264 0.9023942007122425 … 0.9999999998999556 0.9999999998999592], :AdsorbedConcentration => [142.910740100206 114.7521063031717 … 3.073281195269417e-5 3.07327726471045e-5; 30.291594782287593 37.067457263428935 … 369.2050901980446 369.1679825391899], :Temperature => [297.9016671487494, 296.93312068591194, 296.3032653727873, 295.870315779563, 295.59032309371037, 295.4348265669733, 295.37979936093177, 295.40397446980097, 295.48848824695585, 295.6168252415262 … 298.1553829433986, 298.15482846153145, 298.1542738954822, 298.1537192435581, 298.1531645040644, 298.1526096753047, 298.15205475558076, 298.1514997432222, 298.15094464471116, 298.15039170357784]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102118.25033868873], :OutletTemperature => [297.9016671487494], :OutletComposition => [0.11960544418407365; 0.8803945558159264;;], :MolarFlow => [0.9998199645015433]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.49200978871], :InletTemperature => [298.15039170357784], :InletComposition => [1.0004092423636141e-10; 0.9999999998999592;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1502590206909058])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102108.2582572637, 102099.05097136046, 102089.92589358496, 102080.79971738135, 102071.60644176372, 102062.29633726293, 102052.83604089085, 102043.20757589841, 102033.40628618177, 102023.4380987171 … 100103.82334279503, 100092.90069252596, 100081.97649694933, 100071.05079936115, 100060.12364307635, 100049.19507143089, 100038.26512778396, 100027.33385552002, 100016.40129805093, 100005.46749881777], :y => [0.11965400014095355 0.09767148357230743 … 1.0004336796292996e-10 1.000397806416628e-10; 0.8803459998590465 0.9023285164276925 … 0.9999999998999569 0.9999999998999604], :AdsorbedConcentration => [143.0541484269245 114.87034747874903 … 3.073281201761852e-5 3.0732772698676965e-5; 30.226321380893356 36.98156961312128 … 369.2050708673987 369.16797560406405], :Temperature => [297.90546047393406, 296.93572490869514, 296.30484147980104, 295.8710478782415, 295.5903975847026, 295.4344275142591, 295.37909610047535, 295.40311172910344, 295.48758085370173, 295.6159573209529 … 298.1553812526775, 298.15482695639946, 298.15427257591637, 298.15371810954923, 298.15316355561697, 298.1526089124369, 298.15205417832453, 298.1514993516232, 298.15094443883805, 298.1503916857136]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102108.2582572637], :OutletTemperature => [297.90546047393406], :OutletComposition => [0.11965400014095355; 0.8803459998590465;;], :MolarFlow => [0.9997221339721076]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.46749881777], :InletTemperature => [298.1503916857136], :InletComposition => [1.000397806416628e-10; 0.9999999998999604;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1451251064053414])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102098.27874533189, 102089.0750992586, 102079.95741139025, 102070.84214014221, 102061.66295041476, 102052.3697623524, 102042.92890403463, 102033.32216039876, 102023.5447124203, 102013.60238850293 … 100103.35692588682, 100092.48335180865, 100081.60823472979, 100070.73161892255, 100059.85354867864, 100048.97406831133, 100038.0932221576, 100027.21105458018, 100016.32760996981, 100005.44293274687], :y => [0.11970158055106511 0.09773634972276563 … 1.0004206811630511e-10 1.0003864290245559e-10; 0.8802984194489349 0.9022636502772343 … 0.9999999998999582 0.9999999998999615], :AdsorbedConcentration => [143.19770720483652 114.98874567534787 … 3.0732812080924306e-5 3.07327727488737e-5; 30.163053059804316 36.897636260662885 … 369.205050744897 369.16796840473665], :Temperature => [297.9092880677618, 296.93836374131695, 296.3064496391394, 295.8718084886308, 295.59049690726584, 295.4340500618619, 295.3784119499369, 295.40226639350567, 295.48668983376814, 295.6151052326752 … 298.1553794866225, 298.1548253838234, 298.1542711967969, 298.15371692387794, 298.1531625633992, 298.1526081136919, 298.15205357308537, 298.15149893993686, 298.1509442207746, 298.1503916635593]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102098.27874533189], :OutletTemperature => [297.9092880677618], :OutletComposition => [0.11970158055106511; 0.8802984194489349;;], :MolarFlow => [0.9996244265081401]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.44293274687], :InletTemperature => [298.1503916635593], :InletComposition => [1.0003864290245559e-10; 0.9999999998999615;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1399796539453635])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102088.3300124192, 102079.12989323956, 102070.01939767256, 102060.91476936529, 102051.74935298118, 102042.47272819896, 102033.05092216162, 102023.46548866012, 102013.71145241632, 102003.79454935993 … 100102.89037991398, 100092.0658950993, 100081.23986978094, 100070.41234917981, 100059.58337853673, 100048.75300311459, 100037.92126820039, 100027.08821910749, 100016.25390117767, 100005.41835978284], :y => [0.11974811205964138 0.09780025629123237 … 1.0004077642902429e-10 1.0003751226137598e-10; 0.8802518879403587 0.9021997437087675 … 0.9999999998999596 0.9999999998999626], :AdsorbedConcentration => [143.3412990786241 115.10720399809519 … 3.073281214256902e-5 3.073277279766168e-5; 30.101778299223966 36.81567729075639 … 369.2050298488624 369.1679609477206], :Temperature => [297.91314585357566, 296.94103429505736, 296.3080879729601, 295.8725965413424, 295.5906206134081, 295.4336942153396, 295.3777472227915, 295.4014389623099, 295.4858157742794, 295.61426957725115 … 298.1553776468543, 298.1548237452469, 298.1542697593906, 298.1537156876342, 298.15316152832423, 298.152607279806, 298.1520529404227, 298.1514985085457, 298.15094399072643, 298.15039163714175]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102088.3300124192], :OutletTemperature => [297.91314585357566], :OutletComposition => [0.11974811205964138; 0.8802518879403587;;], :MolarFlow => [0.9995270203955735]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.41835978284], :InletTemperature => [298.15039163714175], :InletComposition => [1.0003751226137598e-10; 0.9999999998999626;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1348327602463884])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102078.40041198312, 102069.20371737545, 102060.10023752874, 102051.00602097536, 102041.85410471068, 102032.59373596782, 102023.19064690352, 102013.6261655516, 102003.89516575525, 101994.00329629163 … 100102.42325525949, 100091.64792011298, 100080.87104714429, 100070.09268249712, 100059.3128723356, 100048.53166284635, 100037.74910024065, 100026.96523075651, 100016.1801006609, 100005.3937562514], :y => [0.11979366677724437 0.09786326357864857 … 1.0003949057634152e-10 1.0003638671232603e-10; 0.8802063332227557 0.9021367364213514 … 0.9999999998999609 0.9999999998999637], :AdsorbedConcentration => [143.485220163821 115.22596666997667 … 3.073281220268398e-5 3.073277284514523e-5; 30.042316223835527 36.735483681312914 … 369.20500813645106 369.1679532177247], :Temperature => [297.91704096783604, 296.94374147548774, 296.3097594207534, 295.873413324699, 295.5907686832011, 295.43335900931083, 295.37710035624406, 295.40062757834227, 295.4849567644353, 295.6134485644995 … 298.1553757296006, 298.1548220373103, 298.15426826075003, 298.15371439828283, 298.1531604482694, 298.15260640906894, 298.1520522790389, 298.1514980565648, 298.15094374822127, 298.1503916064062]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102078.40041198312], :OutletTemperature => [297.91704096783604], :OutletComposition => [0.11979366677724437; 0.8802063332227557;;], :MolarFlow => [0.9994298016053711]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.3937562514], :InletTemperature => [298.1503916064062], :InletComposition => [1.0003638671232603e-10; 0.9999999998999637;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1296794666450387])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102068.48792420387, 102059.29455810438, 102050.19792957665, 102041.11391147911, 102031.97524505664, 102022.73085190075, 102013.34617362832, 102003.80231647001, 101994.09400763841, 101984.22681334567 … 100101.95555646486, 100091.22943095233, 100080.50177047066, 100069.77262206205, 100059.04203278961, 100048.31004973936, 100037.5767200224, 100026.84209077712, 100016.10620917122, 100005.3691224035], :y => [0.11983827375926519 0.09792537671606558 … 1.0003820962410814e-10 1.0003526545742643e-10; 0.8801617262407349 0.9020746232839344 … 0.9999999998999622 0.9999999998999648], :AdsorbedConcentration => [143.62961738301837 115.34515494774828 … 3.073281226132845e-5 3.0732772891371193e-5; 29.984561175546183 36.656942976658186 … 369.204985583473 369.16794520618805], :Temperature => [297.920976708127, 296.9464875890614, 296.3114653897145, 295.8742594635352, 295.5909411022548, 295.433043959186, 295.3764705688417, 295.3998313195097, 295.4841118671628, 295.61264133292593 … 298.1553737327093, 298.15482025809496, 298.15426669919054, 298.15371305437316, 298.15315932201776, 298.1526055004978, 298.152051588185, 298.15149758347906, 298.15094349297834, 298.15039157130826]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102068.48792420387], :OutletTemperature => [297.920976708127], :OutletComposition => [0.11983827375926519; 0.8801617262407349;;], :MolarFlow => [0.9993327503618695]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.3691224035], :InletTemperature => [298.15039157130826], :InletComposition => [1.0003526545742643e-10; 0.9999999998999648;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1245198257090254])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [102058.59107356367, 102049.40094526399, 102040.31101398448, 102031.23699624384, 102022.11134907135, 102012.88267432137, 102003.51612626563, 101993.992591991, 101984.30665524025, 101974.46380348597 … 100101.48730723832, 100090.81044887305, 100080.13205854918, 100069.4521841847, 100058.77087371888, 100048.08817511438, 100037.40413635936, 100026.71880546966, 100016.03223049095, 100005.34445950041], :y => [0.11988196136703645 0.09798660342098524 … 1.000369328148252e-10 1.0003414784700136e-10; 0.8801180386329636 0.9020133965790147 … 0.9999999998999636 0.9999999998999659], :AdsorbedConcentration => [143.77462216135226 115.4648773739354 … 3.073281231854958e-5 3.073277293637651e-5; 29.928422094454152 36.57995948178298 … 369.2049621660327 369.1679369047022], :Temperature => [297.92495607269586, 296.9492747755933, 296.31320722964136, 295.87513560856405, 295.5911379393405, 295.43274869815286, 295.37585721404554, 295.39904940338573, 295.48328028151866, 295.61184714832893 … 298.1553716540394, 298.15481840569186, 298.15426507303465, 298.15371165445936, 298.1531581483553, 298.15260455311034, 298.1520508671105, 298.15149708877004, 298.15094322471106, 298.1503915317955]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [102058.59107356367], :OutletTemperature => [297.92495607269586], :OutletComposition => [0.11988196136703645; 0.8801180386329636;;], :MolarFlow => [0.9992358522185607]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.34445950041], :InletTemperature => [298.1503915317955], :InletComposition => [1.0003414784700136e-10; 0.9999999998999659;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [1.1193541016274848])) … OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101939.74758744516, 101930.39768226266, 101921.04692265796, 101911.69530842404, 101902.34283935295, 101892.98951523585, 101883.63533586301, 101874.28030102384, 101864.92441050685, 101855.56766409971 … 100103.09002513577, 100092.3000630806, 100081.49473124025, 100070.67439561372, 100059.8394197863, 100048.99016437754, 100038.12698654587, 100027.25023956085, 100016.36027292472, 100005.45744701206], :y => [0.1500001127138555 0.15000020686382318 … 0.1311391747939722 0.13100139655260584; 0.8499998872861443 0.8499997931361776 … 0.8688608252060259 0.8689986034473934], :AdsorbedConcentration => [3892.1621211968627 3892.102077152678 … 1957.7272413365672 1942.1409601462474; 22.492593954333486 22.492365521796806 … 51.848574520740144 51.944327655403406], :Temperature => [298.1498540479188, 298.1497169272823, 298.14957877600506, 298.1494396237387, 298.1492994997561, 298.149158432942, 298.149016451772, 298.148873584297, 298.1487298581291, 298.1485853004271 … 344.65798044884514, 345.1918304870103, 345.71195687196183, 346.2184335144532, 346.7113564519094, 347.19084169590076, 347.65702276643833, 348.11003314055614, 348.549545739123, 348.9618868775823]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101939.74758744516], :OutletTemperature => [298.1498540479188], :OutletComposition => [0.1500001127138555; 0.8499998872861443;;], :MolarFlow => [0.9980722787174661]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.45744701206], :InletTemperature => [348.9618868775823], :InletComposition => [0.13100139655260584; 0.8689986034473934;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9765873870721063])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101930.93437514058, 101921.58446973427, 101912.23370963347, 101902.88209463679, 101893.5296245419, 101884.17629914555, 101874.82211824352, 101865.46708163073, 101856.11118910115, 101846.75444044785 … 100102.08599180916, 100091.41152718297, 100080.719425522, 100070.01003008487, 100059.28368748391, 100048.54074673702, 100037.7815583836, 100027.00647368259, 100016.21584448678, 100005.41004078236], :y => [0.15000010539071357 0.15000019352889923 … 0.13250472539050395 0.13233838129188935; 0.8499998946092862 0.8499998064711015 … 0.8674952746094942 0.8676616187081099], :AdsorbedConcentration => [3892.099015743687 3892.0386276103195 … 2096.1403580791234 2077.1489843937443; 22.492471223783276 22.492248474808022 … 50.78395809502774 50.938645770696496], :Temperature => [298.14986340870075, 298.1497348001879, 298.1496049511272, 298.1494738922256, 298.1493416539853, 298.14920826668805, 298.1490737603683, 298.1489381647913, 298.1488015094323, 298.14866382345605 … 340.3564313960869, 340.97417176268743, 341.5792007709942, 342.1713678721975, 342.7505591826057, 343.3166951775817, 343.8697278156773, 344.4096189959262, 344.9357803327753, 345.43147093594797]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101930.93437514058], :OutletTemperature => [298.14986340870075], :OutletComposition => [0.15000010539071357; 0.8499998946092862;;], :MolarFlow => [0.997985990266731]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.41004078236], :InletTemperature => [345.43147093594797], :InletComposition => [0.13233838129188935; 0.8676616187081099;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9779980996025835])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101922.46450773532, 101913.11460205435, 101903.76384136322, 101894.41222546624, 101885.05975416682, 101875.70642726748, 101866.35224456976, 101856.99720587434, 101847.64131098097, 101838.28455968849 … 100100.88759642471, 100090.34795100972, 100079.78879279301, 100069.21038885655, 100058.61301766151, 100047.99696784718, 100037.36253705746, 100026.71003082576, 100016.03976223318, 100005.35207239227], :y => [0.15000009642860182 0.15000017719291645 … 0.134173261400824 0.1339794633602681; 0.8499999035713979 0.8499998228070843 … 0.865826738599174 0.8660205366397312], :AdsorbedConcentration => [3892.038056608945 3891.9772440224597 … 2266.3621360310985 2244.1105673680036; 22.492354945497333 22.492139196392532 … 49.11136129189845 49.34436695681122], :Temperature => [298.1498748858068, 298.1497567600737, 298.1496371801105, 298.14951617593294, 298.14939377759197, 298.1492700151487, 298.14914491864187, 298.1490185180576, 298.1488908433015, 298.14876192417154 … 335.34988198326045, 336.03545041411974, 336.7113506580478, 337.37713092422683, 338.03238403971164, 338.67674667957294, 339.3098976013956, 339.9315333110893, 340.5407080232856, 341.11752209683306]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101922.46450773532], :OutletTemperature => [298.1498748858068], :OutletComposition => [0.15000009642860182; 0.8499999035713979;;], :MolarFlow => [0.9979030634392503]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.35207239227], :InletTemperature => [341.11752209683306], :InletComposition => [0.1339794633602681; 0.8660205366397312;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9797540625177289])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101914.43935792962, 101905.08945191694, 101895.73869052962, 101886.38707357724, 101877.03460086857, 101867.68127221162, 101858.32708741346, 101848.97204628041, 101839.61614861789, 101830.25939423045 … 100099.49437482464, 100089.1070182314, 100078.69914332256, 100068.2708784833, 100057.82237097788, 100047.35378602296, 100036.8653058049, 100026.3571284812, 100015.82946799214, 100005.28257743179], :y => [0.15000008563757505 0.1500001575004781 … 0.13615865733894994 0.13594356398517568; 0.8499999143624246 0.8499998424995227 … 0.8638413426610481 0.8640564360148236], :AdsorbedConcentration => [3891.9799263160094 3891.918597496298 … 2469.0860477463852 2444.38841675018; 22.492246779979236 22.492039517555252 … 46.629084461648226 46.9511016995529], :Temperature => [298.14988873414666, 298.1497833201654, 298.1496762538352, 298.14956756168914, 298.14945727063264, 298.14934540791097, 298.1492320010646, 298.14911707789025, 298.14900066640365, 298.14888279480255 … 329.7212339349508, 330.4407401946782, 331.1558930416936, 331.86597536150555, 332.5703020875662, 333.26822258104573, 333.95912172638396, 334.6423948866226, 335.31670181194096, 335.9593396951596]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101914.43935792962], :OutletTemperature => [298.14988873414666], :OutletComposition => [0.15000008563757505; 0.8499999143624246;;], :MolarFlow => [0.9978244907554523]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.28257743179], :InletTemperature => [335.9593396951596], :InletComposition => [0.13594356398517568; 0.8640564360148236;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9818790030351158])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101906.98987318482, 101897.63996678081, 101888.2892045865, 101878.93758641534, 101869.58511208015, 101860.23178139316, 101850.87759416593, 101841.52255020934, 101832.16664933362, 101822.80989134827 … 100097.93553022003, 100087.71254742189, 100077.46941442619, 100067.20608190459, 100056.92252136636, 100046.6187250952, 100036.29470597737, 100025.95049725605, 100015.5861531043, 100005.2017743829], :y => [0.15000007295341863 0.15000013431989406 … 0.1384298254557417 0.13820686391129092; 0.849999927046581 0.8499998656801068 … 0.8615701745442562 0.8617931360887086], :AdsorbedConcentration => [3891.9255354316247 3891.863591567588 … 2699.617662472326 2674.1599663305706; 22.492148715771005 22.491951511472458 … 43.22305690790272 43.62012983088437], :Temperature => [298.14990505416574, 298.14981471316764, 298.14972257391497, 298.1496286552217, 298.14953297671957, 298.14943555881695, 298.1493364226444, 298.14923559000687, 298.14913308333587, 298.14902892564476 … 323.68360673382415, 324.38541938923714, 325.08945387665193, 325.79494760209894, 326.5011370211493, 327.2072616845423, 327.912567206419, 328.61628002343315, 329.3168101321673, 329.9898421151413]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101906.98987318482], :OutletTemperature => [298.14990505416574], :OutletComposition => [0.15000007295341863; 0.849999927046581;;], :MolarFlow => [0.9977515542965099]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.2017743829], :InletTemperature => [329.9898421151413], :InletComposition => [0.13820686391129092; 0.8617931360887086;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.984349691584672])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101900.27233097979, 101890.92242413135, 101881.57166103148, 101872.22004149445, 101862.86756533424, 101853.51423236457, 101844.16004239883, 101834.80499525007, 101825.44909073095, 101816.09232865373 … 100096.28165703197, 100086.22609751082, 100076.15236565722, 100066.06025622667, 100055.94957892095, 100045.82015908718, 100035.6718383561, 100025.50447524645, 100015.31794661962, 100005.11217400941], :y => [0.150000058616372 0.15000010806917127 … 0.14088597113382828 0.1406751292183874; 0.8499999413836278 0.8499998919308296 … 0.8591140288661697 0.859324870781612], :AdsorbedConcentration => [3891.8760213678434 3891.8133695157126 … 2946.3760956415013 2922.4536457851364; 22.492062850269285 22.49187713266408 … 39.01646034414097 39.43917126519268], :Temperature => [298.14992356127965, 298.14985044871327, 298.1497755021592, 298.149698727617, 298.14962013234066, 298.14953972480043, 298.14945751463284, 298.1493735125943, 298.14928773051486, 298.1492001812524 … 317.5762320985645, 318.20188058061825, 318.835292559296, 319.47594320414214, 320.12328051083995, 320.77672728053636, 321.43568230438217, 322.0994935551848, 322.7666706282966, 323.41348156161837]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101900.27233097979], :OutletTemperature => [298.14992356127965], :OutletComposition => [0.150000058616372; 0.8499999413836278;;], :MolarFlow => [0.99768578414488]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.11217400941], :InletTemperature => [323.41348156161837], :InletComposition => [0.1406751292183874; 0.859324870781612;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9870646273945075])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101894.45456134692, 101885.10465402319, 101875.75388996133, 101866.40226897165, 101857.04979086462, 101847.69645545086, 101838.34226254107, 101828.98721194606, 101819.63130347665, 101810.27453694366 … 100094.64122648798, 100084.7451430903, 100074.83421494834, 100064.9081606742, 100054.96670455852, 100045.00957730653, 100035.03651678421, 100025.04726880179, 100015.04158872656, 100005.01926511478], :y => [0.15000004337006245 0.1500000800863228 … 0.14335948322398476 0.14318130451978556; 0.8499999566299374 0.8499999199136781 … 0.8566405167760133 0.8568186954802139], :AdsorbedConcentration => [3891.8326835307926 3891.769261101324 … 3193.194132170821 3172.918191275267; 22.491991007464513 22.491817659334096 … 34.44449485286943 34.823052349356175], :Temperature => [298.14994331954637, 298.1498887812975, 298.14983254795226, 298.14977460964946, 298.1497149579012, 298.14965358558743, 298.1495904869335, 298.14952565749144, 298.14945909411813, 298.1493907949524 … 311.7954242770982, 312.29775263571395, 312.81036593057104, 313.3330775181274, 313.8656745191001, 314.4079172911144, 314.9595380513883, 315.520214345517, 316.0888721794917, 316.64498565980506]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101894.45456134692], :OutletTemperature => [298.14994331954637], :OutletComposition => [0.15000004337006245; 0.8499999566299374;;], :MolarFlow => [0.997628823491828]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100005.01926511478], :InletTemperature => [316.64498565980506], :InletComposition => [0.14318130451978556; 0.8568186954802139;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.989840449941446])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101889.7008066581, 101880.3508988685, 101871.00013386623, 101861.64851145212, 101852.29603142764, 101842.94269359467, 101833.58849775558, 101824.23344371318, 101814.87753127067, 101805.52076023168 … 100093.14011183607, 100083.38485972706, 100073.61879164109, 100063.84163892962, 100054.05313214418, 100044.25300140475, 100034.4409767914, 100024.61678878458, 100014.78016937144, 100004.93087004847], :y => [0.15000002851756006 0.15000005274965525 … 0.14565684971530174 0.14552462649031545; 0.8499999714824398 0.8499999472503457 … 0.8543431502846963 0.854475373509684], :AdsorbedConcentration => [3891.796886099907 3891.7326929780666 … 3423.8201948388846 3408.475897344321; 22.491934454762973 22.491773324914266 … 30.114672730045232 30.395994168542646], :Temperature => [298.1499626483812, 298.1499264821444, 298.1498889593364, 298.14985005771285, 298.1498097559454, 298.1497680336583, 298.14972487144837, 298.1496802509062, 298.14963415463575, 298.1495865662701 … 306.71388592242, 307.0698147206835, 307.43539828955187, 307.8106728020184, 308.195661942704, 308.5903760711452, 308.99481057063804, 309.40892457625154, 309.83210693328004, 310.24897064888506]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101889.7008066581], :OutletTemperature => [298.1499626483812], :OutletComposition => [0.15000002851756006; 0.8499999714824398;;], :MolarFlow => [0.9975822804025324]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100004.93087004847], :InletTemperature => [310.24897064888506], :InletComposition => [0.14552462649031545; 0.854475373509684;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9924542610652961])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101886.4400634286, 101877.09015527029, 101867.73938952382, 101858.38776597852, 101849.0352844243, 101839.68194465163, 101830.32774645156, 101820.9726896157, 101811.61677393617, 101802.25999920571 … 100092.00788178791, 100082.35583536982, 100072.69658137928, 100063.02991152428, 100053.35561447321, 100043.67347597444, 100033.98327898742, 100024.28480384343, 100014.57782885797, 100004.86214236883], :y => [0.15000001682327135 0.15000003116847208 … 0.14742318276279273 0.14733502750814048; 0.8499999831767285 0.8499999688315287 … 0.8525768172372054 0.852664972491859], :AdsorbedConcentration => [3891.772089077174 3891.7072744054053 … 3604.751547774973 3594.221710403231; 22.49189702423186 22.49174563542646 … 26.864468900606933 27.045633501560253], :Temperature => [298.1499779221744, 298.1499564205636, 298.14993398267325, 298.14991058370003, 298.14988619905887, 298.1498608044318, 298.1498343758033, 298.1498068894997, 298.1497783222251, 298.14974865109906 … 302.9991935248369, 303.2253017165151, 303.45884494053865, 303.6999324090983, 303.9486693273161, 304.2051565059299, 304.46948938841484, 304.74174367917436, 305.0216146362275, 305.29887204021105]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101886.4400634286], :OutletTemperature => [298.1499779221744], :OutletComposition => [0.15000001682327135; 0.8499999831767285;;], :MolarFlow => [0.9975503550985915]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100004.86214236883], :InletTemperature => [305.29887204021105], :InletComposition => [0.14733502750814048; 0.852664972491859;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9944878144959577])), OrderedCollections.OrderedDict{Symbol, Any}(:Bed => OrderedCollections.OrderedDict{Symbol, Any}(:Pressure => [101884.44866125289, 101875.09875284135, 101865.7479865836, 101856.39636225862, 101847.04387964576, 101837.69053852487, 101828.3363386762, 101818.98127988048, 101809.62536191888, 101800.26858457304 … 100091.25348872319, 100081.66842201109, 100072.07889219285, 100062.48476010178, 100052.8858834341, 100043.28211676891, 100033.67331159324, 100024.05931634264, 100014.4399767131, 100004.81514282645], :y => [0.1500000088252518 0.15000001637509827 … 0.1486339559794114 0.14858132418815592; 0.8499999911747481 0.8499999836249026 … 0.8513660440205867 0.8514186758118435], :AdsorbedConcentration => [3891.7568074165333 3891.691559207524 … 3731.653291265414 3725.19018735703; 22.491874939684955 22.4917302811724 … 24.731393751897528 24.834934240788584], :Temperature => [298.14998839776035, 298.14997703778187, 298.14996511960055, 298.1499526235876, 298.1499395298846, 298.14992581843774, 298.1499114690176, 298.14989646124565, 298.14988077461976, 298.14986438854163 … 300.5896268879329, 300.7173283906478, 300.8499903960585, 300.9877239333692, 301.13063932211975, 301.27884600801156, 301.43245204049504, 301.5915554434147, 301.756027929971, 301.91982111726475]), :V_feed => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100000.0], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :OutletPressure => [101884.44866125289], :OutletTemperature => [298.14998839776035], :OutletComposition => [0.1500000088252518; 0.8499999911747481;;], :MolarFlow => [0.9975308576664866]), :V_product => OrderedCollections.OrderedDict{Symbol, Any}(:InletPressure => [100004.81514282645], :InletTemperature => [301.91982111726475], :InletComposition => [0.14858132418815592; 0.8514186758118435;;], :OutletPressure => [100000.0], :OutletTemperature => [298.15], :OutletComposition => [1.0e-10; 0.9999999999;;], :MolarFlow => [0.9958968037924298]))], [1.0, 0.10000000000000009, 0.010000000000000009, 0.0009999999999998899, 0.0010796475153640461, 0.0010805123386004034, 0.001080503119860854, 0.0010827306445275742, 0.0010860710900009174, 0.001090407062698473 … 121.61060201754981, 126.78621445194858, 133.9098614789823, 143.85495536737153, 158.0948903588005, 179.2444660006404, 212.20382415658014, 266.7938999000926, 313.5169574376632, 368.57412754866164], 1, Dict{Symbol, Any}(:Bed => Dict{Symbol, Any}(:AdsorbedConcentration => [3.0732575882738364e-5 3.0732575882738364e-5 … 3.0732575882738364e-5 3.0732575882738364e-5; 369.1501960954561 369.1501960954561 … 369.1501960954561 369.1501960954561], :ComponentMasses => [0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15], :AdsorbedLoading => [0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0], :C_pg => [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 … 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], :MolarConcentration => [0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0], :ConservedPressure => [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 … 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], :ΔH => [0.0 0.0 … 0.0 0.0; 0.0 0.0 … 0.0 0.0], :TotalMolarConcentration => [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 … 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0], :ColumnConservedEnergy => [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0 … 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]…), :V_feed => Dict{Symbol, Any}(:OutletPressure => [100000.0], :MolarFlow => [0.0], :OutletComposition => [1.0e-10; 0.9999999999000001;;], :InletTemperature => [298.15], :InletComposition => [0.15; 0.85;;], :InletPressure => [100000.0], :OutletTemperature => [298.15]), :V_product => Dict{Symbol, Any}(:OutletPressure => [100000.0], :MolarFlow => [0.0], :OutletComposition => [1.0e-10; 0.9999999999000001;;], :InletTemperature => [298.15], :InletComposition => [1.0e-10; 0.9999999999000001;;], :InletPressure => [100000.0], :OutletTemperature => [298.15])), nothing, Float64[], 0, nothing)Visualisation
The primary variables at the outlet through time. CO₂ reaches the outlet in two steps. The heat released by adsorption travels with the first front, so the bed behind it is about 60 K hotter and holds less CO₂; the rest of the CO₂ breaks through as the feed cools the bed again:
julia
bed = fs[:Bed]
bed_states = [s[:Bed] for s in result.states]
f_outlet = Mocca.plot_cell(bed_states, bed, result.timesteps, ncells)
and along the column at the end of the simulation:
julia
f_column = Mocca.plot_state(bed_states[end], bed)
Heat effects
Each bed has a thermal model: Mocca.Adiabatic(), Mocca.WithWall() (the default), which adds an energy balance for the column wall and its heat exchange with the gas and the surroundings, or Mocca.Isothermal(T), with no energy balance. The same breakthrough with each:
julia
function breakthrough(thermal)
fs = Mocca.Flowsheet(gas, feed)
Mocca.add_bed!(fs, :Bed, adsorbent, column; ncells = ncells, thermal = thermal)
Mocca.add_device!(fs, :V_feed, :feed; at = (:Bed, :bottom))
Mocca.add_device!(fs, :V_product, :product; at = (:Bed, :top))
p = Mocca.Process(fs, cycle; timestepping = process.timestepping)
r = Mocca.simulate(p; timestep_selector_cfg = selector)
return [s[:Bed] for s in r.states], r.timesteps
end
runs = [
"Adiabatic" => (bed_states, result.timesteps),
"With wall" => breakthrough(Mocca.WithWall()),
"Isothermal" => breakthrough(Mocca.Isothermal(298.15)),
]3-element Vector{Pair{String, Tuple{Vector{OrderedCollections.OrderedDict{Symbol, Any}}, Vector{Float64}}}}:
"Adiabatic" => ([OrderedCollections.OrderedDict(:Pressure => [103129.22133919805, 103119.50690802728, 103109.40507702237, 103098.88826034455, 103087.94380038211, 103076.56901172454, 103064.76911132739, 103052.55566649392, 103039.94523817944, 103026.95815713854 … 100150.00934336842, 100134.22729283776, 100118.44347860341, 100102.65781809189, 100086.87022866622, 100071.0806276254, 100055.28893220388, 100039.49505957114, 100023.69892683107, 100007.90045102111], :y => [0.11375807430819164 0.09029710454194453 … 1.00184724048083e-10 1.0016331214428263e-10; 0.8862419256918084 0.9097028954580555 … 0.9999999998998154 0.9999999998998367], :AdsorbedConcentration => [128.207548126281 102.66391000959422 … 3.073280349277624e-5 3.073276583040274e-5; 39.360721450284665 48.17137385941592 … 369.20625743825343 369.16842229021853], :Temperature => [297.5475467847404, 296.70186819102764, 296.17531287862124, 295.82571462565056, 295.609722776636, 295.4996892775856, 295.4733904044981, 295.51214320082147, 295.60006121652196, 295.72361986675656 … 298.155478623688, 298.1549132388138, 298.1543477727493, 298.1537822225297, 298.153216585187, 298.1526508577509, 298.1520850372483, 298.15151912072923, 298.1509531124665, 298.1503890285308]), OrderedCollections.OrderedDict(:Pressure => [102220.07736902461, 102210.82587752474, 102201.61213948781, 102192.35617347942, 102182.9961989469, 102173.48675048996, 102163.79818719736, 102153.9154216973, 102143.83581615143, 102133.5665714781 … 100109.00347420241, 100097.53576644378, 100086.06649121652, 100074.59568018094, 100063.12336501107, 100051.6495773967, 100040.17434904542, 100028.69771168464, 100017.21969706367, 100005.74033695536], :y => [0.11909367089931336 0.09692395687621615 … 1.0005812342161215e-10 1.0005269176466373e-10; 0.8809063291006867 0.9030760431237839 … 0.999999999899942 0.9999999998999474], :AdsorbedConcentration => [141.45032279468614 113.54860072758272 … 3.073281125965402e-5 3.073277209488494e-5; 30.997032145701837 37.98186136402598 … 369.20527256360396 369.1680483386545], :Temperature => [297.86363299264866, 296.90721939586996, 296.2878014095098, 295.8633935622421, 295.590038984591, 295.439311405391, 295.3873395225434, 295.41310818983936, 295.4980567319424, 295.62597956584545 … 298.1553987796233, 298.15484255230507, 298.1542862410498, 298.1537298440275, 298.1531733594061, 298.1526167853517, 298.1520601200287, 298.1515033616286, 298.15094651640226, 298.1503918053223]), OrderedCollections.OrderedDict(:Pressure => [102127.51314412353, 102118.29851757019, 102109.15862994223, 102100.01068724012, 102090.78937539831, 102081.44567323773, 102071.94684070244, 102062.27538453437, 102052.42698401479, 102042.40777455895 … 100104.71864113281, 100093.70178667565, 100082.68338297479, 100071.66347137542, 100060.64209324076, 100049.61928995415, 100038.5951029212, 100027.56957357186, 100016.54274336259, 100005.51465377802], :y => [0.11955957931120513 0.09754425746450372 … 1.0004589176187135e-10 1.0004198939689619e-10; 0.8804404206887949 0.9024557425354962 … 0.9999999998999544 0.9999999998999581], :AdsorbedConcentration => [142.7779453000718 114.64264660255726 … 3.073281189100575e-5 3.07327725980186e-5; 30.354017273484747 37.14892751623411 … 369.20510738313124 369.1679887229915], :Temperature => [297.89818351022717, 296.93073940851576, 296.30183459208655, 295.869663970732, 295.5902773704794, 295.4352167397806, 295.3804691554457, 295.4047904621021, 295.4893446253891, 295.61764448665247 … 298.15538444083415, 298.15482979424326, 298.1542750634921, 298.1537202468753, 298.15316534268555, 298.1526103492139, 298.15205526474944, 298.1515000876092, 298.1509448242541, 298.15039171616365]), OrderedCollections.OrderedDict(:Pressure => [102118.25033868873, 102109.039299365, 102099.9066334801, 102090.76929004284, 102081.56161680823, 102072.23424579807, 102062.75413222559, 102053.10354588571, 102043.27800097657, 102033.28352950727 … 100104.28871518842, 100093.31709814521, 100082.34393367666, 100071.36926407697, 100060.39313165876, 100049.4155787552, 100038.43664772215, 100027.45638094026, 100016.47482081705, 100005.49200978871], :y => [0.11960544418407365 0.09760579928775745 … 1.0004467459626542e-10 1.0004092423636141e-10; 0.8803945558159264 0.9023942007122425 … 0.9999999998999556 0.9999999998999592], :AdsorbedConcentration => [142.910740100206 114.7521063031717 … 3.073281195269417e-5 3.07327726471045e-5; 30.291594782287593 37.067457263428935 … 369.2050901980446 369.1679825391899], :Temperature => [297.9016671487494, 296.93312068591194, 296.3032653727873, 295.870315779563, 295.59032309371037, 295.4348265669733, 295.37979936093177, 295.40397446980097, 295.48848824695585, 295.6168252415262 … 298.1553829433986, 298.15482846153145, 298.1542738954822, 298.1537192435581, 298.1531645040644, 298.1526096753047, 298.15205475558076, 298.1514997432222, 298.15094464471116, 298.15039170357784]), OrderedCollections.OrderedDict(:Pressure => [102108.2582572637, 102099.05097136046, 102089.92589358496, 102080.79971738135, 102071.60644176372, 102062.29633726293, 102052.83604089085, 102043.20757589841, 102033.40628618177, 102023.4380987171 … 100103.82334279503, 100092.90069252596, 100081.97649694933, 100071.05079936115, 100060.12364307635, 100049.19507143089, 100038.26512778396, 100027.33385552002, 100016.40129805093, 100005.46749881777], :y => [0.11965400014095355 0.09767148357230743 … 1.0004336796292996e-10 1.000397806416628e-10; 0.8803459998590465 0.9023285164276925 … 0.9999999998999569 0.9999999998999604], :AdsorbedConcentration => [143.0541484269245 114.87034747874903 … 3.073281201761852e-5 3.0732772698676965e-5; 30.226321380893356 36.98156961312128 … 369.2050708673987 369.16797560406405], :Temperature => [297.90546047393406, 296.93572490869514, 296.30484147980104, 295.8710478782415, 295.5903975847026, 295.4344275142591, 295.37909610047535, 295.40311172910344, 295.48758085370173, 295.6159573209529 … 298.1553812526775, 298.15482695639946, 298.15427257591637, 298.15371810954923, 298.15316355561697, 298.1526089124369, 298.15205417832453, 298.1514993516232, 298.15094443883805, 298.1503916857136]), OrderedCollections.OrderedDict(:Pressure => [102098.27874533189, 102089.0750992586, 102079.95741139025, 102070.84214014221, 102061.66295041476, 102052.3697623524, 102042.92890403463, 102033.32216039876, 102023.5447124203, 102013.60238850293 … 100103.35692588682, 100092.48335180865, 100081.60823472979, 100070.73161892255, 100059.85354867864, 100048.97406831133, 100038.0932221576, 100027.21105458018, 100016.32760996981, 100005.44293274687], :y => [0.11970158055106511 0.09773634972276563 … 1.0004206811630511e-10 1.0003864290245559e-10; 0.8802984194489349 0.9022636502772343 … 0.9999999998999582 0.9999999998999615], :AdsorbedConcentration => [143.19770720483652 114.98874567534787 … 3.0732812080924306e-5 3.07327727488737e-5; 30.163053059804316 36.897636260662885 … 369.205050744897 369.16796840473665], :Temperature => [297.9092880677618, 296.93836374131695, 296.3064496391394, 295.8718084886308, 295.59049690726584, 295.4340500618619, 295.3784119499369, 295.40226639350567, 295.48668983376814, 295.6151052326752 … 298.1553794866225, 298.1548253838234, 298.1542711967969, 298.15371692387794, 298.1531625633992, 298.1526081136919, 298.15205357308537, 298.15149893993686, 298.1509442207746, 298.1503916635593]), OrderedCollections.OrderedDict(:Pressure => [102088.3300124192, 102079.12989323956, 102070.01939767256, 102060.91476936529, 102051.74935298118, 102042.47272819896, 102033.05092216162, 102023.46548866012, 102013.71145241632, 102003.79454935993 … 100102.89037991398, 100092.0658950993, 100081.23986978094, 100070.41234917981, 100059.58337853673, 100048.75300311459, 100037.92126820039, 100027.08821910749, 100016.25390117767, 100005.41835978284], :y => [0.11974811205964138 0.09780025629123237 … 1.0004077642902429e-10 1.0003751226137598e-10; 0.8802518879403587 0.9021997437087675 … 0.9999999998999596 0.9999999998999626], :AdsorbedConcentration => [143.3412990786241 115.10720399809519 … 3.073281214256902e-5 3.073277279766168e-5; 30.101778299223966 36.81567729075639 … 369.2050298488624 369.1679609477206], :Temperature => [297.91314585357566, 296.94103429505736, 296.3080879729601, 295.8725965413424, 295.5906206134081, 295.4336942153396, 295.3777472227915, 295.4014389623099, 295.4858157742794, 295.61426957725115 … 298.1553776468543, 298.1548237452469, 298.1542697593906, 298.1537156876342, 298.15316152832423, 298.152607279806, 298.1520529404227, 298.1514985085457, 298.15094399072643, 298.15039163714175]), OrderedCollections.OrderedDict(:Pressure => [102078.40041198312, 102069.20371737545, 102060.10023752874, 102051.00602097536, 102041.85410471068, 102032.59373596782, 102023.19064690352, 102013.6261655516, 102003.89516575525, 101994.00329629163 … 100102.42325525949, 100091.64792011298, 100080.87104714429, 100070.09268249712, 100059.3128723356, 100048.53166284635, 100037.74910024065, 100026.96523075651, 100016.1801006609, 100005.3937562514], :y => [0.11979366677724437 0.09786326357864857 … 1.0003949057634152e-10 1.0003638671232603e-10; 0.8802063332227557 0.9021367364213514 … 0.9999999998999609 0.9999999998999637], :AdsorbedConcentration => [143.485220163821 115.22596666997667 … 3.073281220268398e-5 3.073277284514523e-5; 30.042316223835527 36.735483681312914 … 369.20500813645106 369.1679532177247], :Temperature => [297.91704096783604, 296.94374147548774, 296.3097594207534, 295.873413324699, 295.5907686832011, 295.43335900931083, 295.37710035624406, 295.40062757834227, 295.4849567644353, 295.6134485644995 … 298.1553757296006, 298.1548220373103, 298.15426826075003, 298.15371439828283, 298.1531604482694, 298.15260640906894, 298.1520522790389, 298.1514980565648, 298.15094374822127, 298.1503916064062]), OrderedCollections.OrderedDict(:Pressure => [102068.48792420387, 102059.29455810438, 102050.19792957665, 102041.11391147911, 102031.97524505664, 102022.73085190075, 102013.34617362832, 102003.80231647001, 101994.09400763841, 101984.22681334567 … 100101.95555646486, 100091.22943095233, 100080.50177047066, 100069.77262206205, 100059.04203278961, 100048.31004973936, 100037.5767200224, 100026.84209077712, 100016.10620917122, 100005.3691224035], :y => [0.11983827375926519 0.09792537671606558 … 1.0003820962410814e-10 1.0003526545742643e-10; 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22.491857437823885 22.49173328462818 … 24.516851129170156 24.810178442818945], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.0162966425, 101872.66638855176, 101863.31562294016, 101853.96399958669, 101844.61151827029, 101835.25817876981, 101825.90398086407, 101816.54892433179, 101807.19300895162, 101797.83623450217 … 100090.00079964302, 100080.50526162438, 100071.01263093382, 100061.52357034848, 100052.03885268682, 100042.55937705497, 100033.08618662858, 100023.62048718675, 100014.16366187713, 100004.71725433033], :y => [0.14999993485368884 0.14999987924282443 … 0.14270472054552183 0.14172640702995; 0.8500000651463111 0.850000120757175 … 0.8572952794544793 0.8582735929700512], :AdsorbedConcentration => [3891.7310748961277 3891.6648836640884 … 3704.5913350895344 3680.6509947392533; 22.491857951014506 22.491730048138482 … 23.72929575083872 23.907987932686993], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.27876900173, 101872.92886068152, 101863.57809460946, 101854.22647056085, 101844.873988311, 101835.52064763516, 101826.16644830859, 101816.81139010651, 101807.45547280413, 101798.09869617659 … 100090.20283679293, 100080.69748546906, 100071.19331965405, 100061.69070722883, 100052.19007899651, 100042.6919386895, 100033.19687422317, 100023.70556985805, 100014.21881669833, 100004.7375049817], :y => [0.14999995958691553 0.14999992489757946 … 0.14597694173577908 0.14543049532448651; 0.8500000404130844 0.85000007510242 … 0.8540230582642221 0.8545695046755147], :AdsorbedConcentration => [3891.7356655965964 3891.6696206831425 … 3782.9742106571694 3769.6522873551176; 22.491857699233 22.4917263257284 … 23.147242030136525 23.242601300174567], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.4600557734, 101873.11014726704, 101863.75938081977, 101854.40775620242, 101845.05527318583, 101835.70193154084, 101826.34773103827, 101816.99267144894, 101807.63675254364, 101798.27997409314 … 100090.3408909756, 100080.8289052408, 100071.31693547804, 100061.80514480862, 100052.29372479969, 100042.78290019091, 100033.27293428997, 100023.76413491204, 100014.2568596837, 100004.75151299319], :y => [0.1499999797353353 0.14999996222175452 … 0.14821667163054406 0.1479733020288543; 0.8500000202646647 0.8500000377782451 … 0.8517833283694571 0.8520266979711469], :AdsorbedConcentration => [3891.7391730334407 3891.673264766177 … 3836.3833402011483 3830.446573004674; 22.49185701648196 22.49172279344507 … 22.762602451933667 22.803725902762565], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.56261196904, 101873.21270334173, 101863.86193664937, 101854.51031165867, 101845.1578281364, 101835.80448584922, 101826.4502845638, 101817.09522404672, 101807.73930406453, 101798.38252438373 … 100090.41682679795, 100080.90119527424, 100071.38494145921, 100061.8681153518, 100052.35077578835, 100042.83299194441, 100033.31484506148, 100023.79643036186, 100014.27785877297, 100004.75925599692], :y => [0.14999999288379662 0.14999998668413167 … 0.14944719628932593 0.14937217798960287; 0.8500000071162034 0.8500000133158679 … 0.8505528037106752 0.8506278220103984], :AdsorbedConcentration => [3891.7413483940845 3891.6755431591637 … 3865.562983363985 3863.694830108133; 22.491856339673284 22.49172023945628 … 22.555838957498242 22.568207914152715], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.60361640035, 101873.2537077203, 101863.90294092047, 101854.55131576523, 101845.19883201888, 101835.84548944567, 101826.49128780968, 101817.136226875, 101807.78030640555, 101798.42352616524 … 100090.44531285451, 100080.92829353406, 100071.4104162404, 100061.89168903932, 100052.37212146659, 100042.8517247804, 100033.33051225227, 100023.80849949019, 100014.28570472794, 100004.76214866094], :y => [0.14999999863851415 0.1499999974424235 … 0.14990609477021927 0.14989363848627252; 0.8500000013614858 0.8500000025575761 … 0.8500939052297819 0.8501063615137289], :AdsorbedConcentration => [3891.742271833405 3891.676518487777 … 3876.3444983557442 3875.9788369480725; 22.491855986427847 22.491719055981164 … 22.47953912051839 22.481459685950206], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.61267046753, 101873.2627617759, 101863.91199495234, 101854.56036976058, 101845.20788596426, 101835.8545433269, 101826.50034161193, 101817.14528058267, 101807.78936000231, 101798.43257963398 … 100090.4508692778, 100080.9335674445, 100071.41536333902, 100061.89625718654, 100052.37624929758, 100042.85534008271, 100033.33353006968, 100023.81081992222, 100014.28721045677, 100004.76270263224], :y => [0.14999999990664795 0.1499999998240882 … 0.14999419928588786 0.14999347161900212; 0.850000000093352 0.8500000001759115 … 0.8500058007141132 0.8500065283809993], :AdsorbedConcentration => [3891.742475168313 3891.676734685022 … 3878.3723751772077 3878.287037372731; 22.491855908839472 22.491718793622827 … 22.464940107376552 22.46491600803474], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.61339643809, 101873.26348774561, 101863.91272092034, 101854.56109572595, 101845.20861192599, 101835.85526928396, 101826.50106756322, 101817.14600652701, 101807.79008593847, 101798.43330556065 … 100090.45123960052, 100080.9339173243, 100071.41569003988, 100061.89655749786, 100052.37651945029, 100042.85557565093, 100033.33372585555, 100023.81096982228, 100014.28730731193, 100004.76273808778], :y => [0.14999999999790237 0.1499999999960423 … 0.14999987992873828 0.1499998664237386; 0.8500000000020975 0.8500000000039574 … 0.8500001200712628 0.8500001335762629], :AdsorbedConcentration => [3891.7424903088395 3891.6767508252633 … 3878.4974440107685 3878.4290633276446; 22.491855904347958 22.491718775740825 … 22.46399939339967 22.463857029924238], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15]), OrderedCollections.OrderedDict(:Pressure => [101882.61341590808, 101873.2635072156, 101863.9127403903, 101854.56111519583, 101845.2086313958, 101835.85528875366, 101826.50108703278, 101817.14602599641, 101807.7901054077, 101798.43332502966 … 100090.45124767715, 100080.93392490051, 100071.41569706314, 100061.89656390695, 100052.37652517376, 100042.85558060532, 100033.33372994326, 100023.81097292916, 100014.28730930453, 100004.76273881078], :y => [0.1499999999999499 0.1499999999999055 … 0.1499999972903821 0.1499999970342947; 0.85000000000005 0.8500000000000941 … 0.850000002709619 0.8500000029657068], :AdsorbedConcentration => [3891.7424906707915 3891.676751210286 … 3878.499826269408 3878.431755987105; 22.491855904293846 22.491718775385458 … 22.46397995990074 22.463835402630902], :Temperature => [298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15 … 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15, 298.15])], [1.0, 0.10000000000000009, 0.010000000000000009, 0.0009999999999998899, 0.0011061664268925409, 0.001106910722845189, 0.0011069054307264459, 0.0011091154954001592, 0.0011124930621757567, 0.0011169086934776917 … 11.276339860186454, 13.685669521079035, 17.55081739463253, 24.206347332095675, 36.93700842266708, 65.35035184717367, 145.26077959138615, 467.16330597463275, 1548.9553202994457, 1548.9553202994457])The time at which the outlet reaches half the CO₂ fraction of the feed:
julia
for (label, (states, ts)) in runs
k = findfirst(s -> s[:y][1, end] > 0.075, states)
println(rpad(label, 12), round(cumsum(ts)[k], digits = 0), " s")
endAdiabatic 527.0 s
With wall 535.0 s
Isothermal 1079.0 sThe isothermal bed stays at the feed temperature and holds more CO₂, so CO₂ breaks through about twice as late, in a single sharp front. Heat lost through the wall cools the bed a little behind the first front, which then takes up more CO₂ than the adiabatic bed.
julia
f_comparison = Mocca.plot_cell_comparison(runs, bed, ncells)
Example on GitHub
If you would like to run this example yourself, it can be downloaded from the Mocca.jl GitHub repository.
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