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CSTR Calculation Routines Copyright 2008 Daniel Wagner O. de Medeiros This file is part of DWSIM. DWSIM is it under the Free (at your free software: you can redistribute it and/or modify the terms of the GNU General Public License as published by Software Foundation, either version 3 of the License, or option) any later version.

DWSIM is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with DWSIM. If not, see <http://www.gnu.org/licenses/>. Microsoft.MSDN.Samples.GraphicObjects DWSIM.DWSIM.ClassesBasicasTermodinamica Ciloci.Flee System.Math DWSIM.DWSIM.MathEx DWSIM.DWSIM.Flowsheet.FlowSheetSolver

Imports Imports Imports Imports Imports Imports

Namespace DWSIM.SimulationObjects.Reactors <System.Serializable()> Public Class Reactor_CSTR Inherits Reactor Protected m_vol As Double Protected m_isotemp As Double Dim Dim Dim Dim Dim Dim Dim Dim C0 As Dictionary(Of String, Double) C As Dictionary(Of String, Double) Ri As Dictionary(Of String, Double) Kf, Kr As ArrayList DN As Dictionary(Of String, Double) N00 As Dictionary(Of String, Double) Rxi As Dictionary(Of String, Double) DHRi As Dictionary(Of String, Double)

Dim activeAL As Integer = 0 <System.NonSerialized()> Dim form As FormFlowsheet <System.NonSerialized()> Dim ims As DWSIM.SimulationObjects.Streams.MaterialStream <System.NonSerialized()> Dim pp As DWSIM.SimulationObjects.PropertyPackages.PropertyPackage <System.NonSerialized()> Dim ppr As New DWSIM.SimulationObjects.PropertyPackages.RaoultPropertyPackage() Public Property IsothermalTemperature() As Double Get Return m_isotemp End Get Set(ByVal value As Double) m_isotemp = value End Set End Property

Public Property Volume() As Double Get Return m_vol End Get Set(ByVal value As Double) m_vol = value End Set End Property Public Sub New(ByVal nome As String, ByVal descricao As String) MyBase.new() Me.m_ComponentName = nome Me.m_ComponentDescription = descricao Me.FillNodeItems() Me.QTFillNodeItems() Me.ShowQuickTable = False N00 = New Dictionary(Of String, Double) DN = New Dictionary(Of String, Double) C0 = New Dictionary(Of String, Double) C = New Dictionary(Of String, Double) Ri = New Dictionary(Of String, Double) Rxi = New Dictionary(Of String, Double) DHRi = New Dictionary(Of String, Double) Kf = New ArrayList Kr = New ArrayList End Sub Public Sub ODEFunc(ByVal y As Double(), ByRef dy As Double()) Dim Dim Dim Dim i As Integer = j As Integer = scBC As Double BC As String = 0 0 = 0 ""

'loop through reactions Dim rxn As Reaction Dim ar As ArrayList = Me.ReactionsSequence(activeAL) i = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) For Each sb As ReactionStoichBase In rxn.Components.Values Ri(sb.CompName) = 0 Next i += 1 Loop Until i = ar.Count i = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) BC = rxn.BaseReactant scBC = rxn.Components(BC).StoichCoeff j = 1 For Each sb As ReactionStoichBase In rxn.Components.Values

C(sb.CompName) = y(j) j = j + 1 Next Dim T As Double = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault Dim kxf As Double = rxn.A_Forward * Exp(-rxn.E_Forward / (8.314 * T)) Dim kxr As Double = rxn.A_Reverse * Exp(-rxn.E_Reverse / (8.314 * T)) If T < rxn.Tmin Or T > rxn.Tmax Then kxf = 0 kxr = 0 End If Dim rx As Double = 0 Dim rxf As Double = 1 Dim rxr As Double = 1 'kinetic expression For Each sb As ReactionStoichBase In rxn.Components.Values rxf *= C(sb.CompName) ^ sb.DirectOrder rxr *= C(sb.CompName) ^ sb.ReverseOrder Next rx = kxf * rxf - kxr * rxr Rxi(rxn.ID) = rx Kf(i) = kxf Kr(i) = kxr For Each sb As ReactionStoichBase In rxn.Components.Values Ri(sb.CompName) += rx * sb.StoichCoeff / rxn.Components(BC).StoichCoeff Next i += 1 Loop Until i = ar.Count j = 1 For Each kv As KeyValuePair(Of String, Double) In Ri dy(j) = -kv.Value * Me.Volume j += 1 Next End Sub Public Overrides Function Calculate(Optional ByVal args As Object = Nothing) As Integer If Rxi Is Nothing Then Rxi = New Dictionary(Of String, Double) If DHRi Is Nothing Then DHRi = New Dictionary(Of String, Double) If DN Is Nothing Then DN = New Dictionary(Of String, Double)

If N00 Is Nothing Then N00 = New Dictionary(Of String, Double) If Me.Conversions Is Nothing Then Me.m_conversions = New Dictionary(Of String, Double) If Me.ComponentConversions Is Nothing Then Me.m_componentconversions = New Dictionary(Of String, Double) form = My.Application.ActiveSimulation Dim objargs As New DWSIM.Outros.StatusChangeEventArgs If Not Me.GraphicObject.InputConnectors(0).IsAttached Then 'Call function to calculate flowsheet With objargs .Calculado = False .Nome = Me.Nome .Tipo = TipoObjeto.RCT_CSTR End With CalculateFlowsheet(FlowSheet, objargs, Nothing) Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedematriac16")) ElseIf Not Me.GraphicObject.OutputConnectors(0).IsAttached Then 'Call function to calculate flowsheet With objargs .Calculado = False .Nome = Me.Nome .Tipo = TipoObjeto.RCT_CSTR End With CalculateFlowsheet(FlowSheet, objargs, Nothing) Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedematriac15")) ElseIf Not Me.GraphicObject.InputConnectors(1).IsAttached Then 'Call function to calculate flowsheet With objargs .Calculado = False .Nome = Me.Nome .Tipo = TipoObjeto.RCT_CSTR End With CalculateFlowsheet(FlowSheet, objargs, Nothing) Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedeenerg17")) End If ims = form.Collections.CLCS_MaterialStreamCollection(Me.GraphicObject.InputConnec tors(0).AttachedConnector.AttachedFrom.Name).Clone pp = Me.PropertyPackage ppr = New DWSIM.SimulationObjects.PropertyPackages.RaoultPropertyPackage() Me.Reactions.Clear() Me.ReactionsSequence.Clear() Me.Conversions.Clear() Me.ComponentConversions.Clear() Me.DeltaQ = 0 Me.DeltaT = 0 Me.DN.Clear() 'check active reactions (kinetic only) in the reaction set For Each rxnsb As ReactionSetBase In form.Options.ReactionSets(Me.ReactionSetID).Reactions.Values

If form.Options.Reactions(rxnsb.ReactionID).ReactionType = ReactionType.Kinetic And rxnsb.IsActive Then Me.Reactions.Add(rxnsb.ReactionID) End If Next 'order reactions Dim i As Integer i = 0 Dim maxrank As Integer = 0 For Each rxnsb As ReactionSetBase In form.Options.ReactionSets(Me.ReactionSetID).Reactions.Values If rxnsb.Rank > maxrank And Me.Reactions.Contains(rxnsb.ReactionID) Then maxrank = rxnsb.Rank Next 'ordering of parallel reactions i = 0 Dim arr As New ArrayList Do arr = New ArrayList For Each rxnsb As ReactionSetBase In form.Options.ReactionSets(Me.ReactionSetID).Reactions.Values If rxnsb.Rank = i And Me.Reactions.Contains(rxnsb.ReactionID) Then arr.Add(rxnsb.ReactionID) Next If arr.Count > 0 Then Me.ReactionsSequence.Add(i, arr) i = i + 1 Loop Until i = maxrank + 1 pp.CurrentMaterialStream = ims ppr.CurrentMaterialStream = ims Dim N0 As New Dictionary(Of String, Double) Dim N As New Dictionary(Of String, Double) Dim DNT As New Dictionary(Of String, Double) C = New Dictionary(Of String, Double) C0 = New Dictionary(Of String, Double) Kf = New ArrayList(Me.Reactions.Count) Kr = New ArrayList(Me.Reactions.Count) Dim scBC, DHr, Hid_r, Hid_p, Hr, Hr0, Hp, Tin, Tin0, Pin, Pout, T As Double Dim BC As String = "" Dim tmp As Object Dim maxXarr As New ArrayList Select Case Me.ReactorOperationMode Case OperationMode.Isothermic 'Reactants Enthalpy before temperature change (kJ/kg * kg/s = kW) Hr0 = ims.Fases(0).SPMProperties.enthalpy.GetValueOrDefault * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault Tin0 = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault

If Me.IsothermalTemperature = 0.0# Then Me.IsothermalTemperature = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault ims.Fases(0).SPMProperties.temperature = Me.IsothermalTemperature With pp .DW_CalcEquilibrium(DWSIM.SimulationObjects.PropertyPackages.FlashSpec.T, DWSIM.SimulationObjects.PropertyPackages.FlashSpec.P) If ims.Fases(3).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid1) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid1) End If If ims.Fases(4).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid2) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid2) End If If ims.Fases(5).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid3) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid3) End If If ims.Fases(6).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Aqueous) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Aqueous) End If If ims.Fases(7).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Solid) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Solid) End If If ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) End If

If ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault >= 0 And ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault < 1 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid) End If .DW_CalcCompMolarFlow(-1) .DW_CalcCompMassFlow(-1) .DW_CalcCompVolFlow(-1) .DW_CalcOverallProps() .DW_CalcTwoPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid, DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) .DW_CalcVazaoVolumetrica() .DW_CalcKvalue() End With End Select Tin = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault Pin = ims.Fases(0).SPMProperties.pressure.GetValueOrDefault Pout = ims.Fases(0).SPMProperties.pressure.GetValueOrDefault Me.DeltaP.GetValueOrDefault ims.Fases(0).SPMProperties.pressure = Pout 'Reactants Enthalpy (kJ/kg * kg/s = kW) Hr = ims.Fases(0).SPMProperties.enthalpy.GetValueOrDefault * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault N00.Clear() 'loop through reactions Dim rxn As Reaction For Each ar As ArrayList In Me.ReactionsSequence.Values i = 0 DHr = 0 Hid_r = 0 Hid_p = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) 'initial mole flows For Each sb As ReactionStoichBase In rxn.Components.Values Select Case rxn.ReactionPhase Case PhaseName.Liquid If Not N0.ContainsKey(sb.CompName) Then N0.Add(sb.CompName, ims.Fases(3).Componentes(sb.CompName).MolarFlow.GetValueOrDefault) N00.Add(sb.CompName, N0(sb.CompName)) N.Add(sb.CompName, N0(sb.CompName))

C0.Add(sb.CompName, N0(sb.CompName) / ims.Fases(3).SPMProperties.volumetric_flow.GetValueOrDefault) Else N0(sb.CompName) = ims.Fases(3).Componentes(sb.CompName).MolarFlow.GetValueOrDefault N(sb.CompName) = N0(sb.CompName) C0(sb.CompName) = N0(sb.CompName) / ims.Fases(3).SPMProperties.volumetric_flow.GetValueOrDefault End If Case PhaseName.Vapor If Not N0.ContainsKey(sb.CompName) Then N0.Add(sb.CompName, ims.Fases(2).Componentes(sb.CompName).MolarFlow.GetValueOrDefault) N00.Add(sb.CompName, N0(sb.CompName)) N.Add(sb.CompName, N0(sb.CompName)) C0.Add(sb.CompName, N0(sb.CompName) / ims.Fases(2).SPMProperties.volumetric_flow.GetValueOrDefault) Else N0(sb.CompName) = ims.Fases(2).Componentes(sb.CompName).MolarFlow.GetValueOrDefault N(sb.CompName) = N0(sb.CompName) C0(sb.CompName) = N0(sb.CompName) / ims.Fases(2).SPMProperties.volumetric_flow.GetValueOrDefault End If Case PhaseName.Mixture If Not N0.ContainsKey(sb.CompName) Then N0.Add(sb.CompName, ims.Fases(0).Componentes(sb.CompName).MolarFlow.GetValueOrDefault) N00.Add(sb.CompName, N0(sb.CompName)) N.Add(sb.CompName, N0(sb.CompName)) C0.Add(sb.CompName, N0(sb.CompName) / ims.Fases(0).SPMProperties.volumetric_flow.GetValueOrDefault) Else N0(sb.CompName) = ims.Fases(0).Componentes(sb.CompName).MolarFlow.GetValueOrDefault N(sb.CompName) = N0(sb.CompName) C0(sb.CompName) = N0(sb.CompName) / ims.Fases(0).SPMProperties.volumetric_flow.GetValueOrDefault End If End Select Next i += 1 Loop Until i = ar.Count Ri.Clear() Rxi.Clear() DHRi.Clear() i = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) BC = rxn.BaseReactant scBC = rxn.Components(BC).StoichCoeff For Each sb As ReactionStoichBase In rxn.Components.Values

C(sb.CompName) = C0(sb.CompName) Next T = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault Dim kxf As Double = rxn.A_Forward * Exp(-rxn.E_Forward / (8.314 * T)) Dim kxr As Double = rxn.A_Reverse * Exp(-rxn.E_Reverse / (8.314 * T)) Dim rx As Double = 0 Dim rxf As Double = 1 Dim rxr As Double = 1 'kinetic expression For Each sb As ReactionStoichBase In rxn.Components.Values rxf *= C(sb.CompName) ^ sb.DirectOrder rxr *= C(sb.CompName) ^ sb.ReverseOrder Next rx = kxf * rxf - kxr * rxr If Not Rxi.ContainsKey(rxn.ID) Then Rxi.Add(rxn.ID, rx) Else Rxi(rxn.ID) = rx End If If Kf.Count - 1 <= i Then Kf.Add(kxf) Kr.Add(kxf) Else Kf(i) = kxf Kr(i) = kxr End If For Each sb As ReactionStoichBase In rxn.Components.Values If Not Ri.ContainsKey(sb.CompName) Then Ri.Add(sb.CompName, 0) End If Next For Each sb As ReactionStoichBase In rxn.Components.Values Ri(sb.CompName) += rx * sb.StoichCoeff / rxn.Components(BC).StoichCoeff Next i += 1 Loop Until i = ar.Count ' ' SOLVE ODEs

' Me.activeAL = Me.ReactionsSequence.IndexOfValue(ar) Dim vc(C.Count) As Double 'vc(1) = Me.Volume i = 1 For Each d As Double In C.Values vc(i) = d i = i + 1 Next Dim bs As New MathEx.ODESolver.bulirschstoer bs.DefineFuncDelegate(AddressOf ODEFunc) bs.solvesystembulirschstoer(0, Me.Volume, vc, Ri.Count, 0.05 * Me.Volume, 0.000001, True) C.Clear() i = 1 For Each sb As KeyValuePair(Of String, Double) In C0 C(sb.Key) = CDbl(vc(i)) i = i + 1 Next i = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) BC = rxn.BaseReactant scBC = rxn.Components(BC).StoichCoeff For Each sb As ReactionStoichBase In rxn.Components.Values ''comp. conversions If Not Me.ComponentConversions.ContainsKey(sb.CompName) Then Me.ComponentConversions.Add(sb.CompName, 0) End If Next i += 1 Loop Until i = ar.Count For Each sb As String In Me.ComponentConversions.Keys If N0(sb) <> 0.0# Then N(sb) = N0(sb) * (1 - (C0(sb) C(sb)) / C0(sb)) Else N(sb) = 0.0# Next For Each sb As String In Me.ComponentConversions.Keys If Not DN.ContainsKey(sb) Then DN.Add(sb, N(sb) - N0(sb)) Else DN(sb) = N(sb) - N0(sb) End If Next For Each sb As String In Me.ComponentConversions.Keys

If Not DNT.ContainsKey(sb) Then DNT.Add(sb, DN(sb)) Else DNT(sb) += DN(sb) End If Next 'Ideal Gas Reactants Enthalpy (kJ/kg * kg/s = kW) Hid_r += 0 'ppr.RET_Hid(298.15, ims.Fases(0).SPMProperties.temperature.GetValueOrDefault, PropertyPackages.Fase.Mixture) * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault 'update mole flows/fractions Dim Nsum As Double = 0 'compute new mole flows 'Nsum = ims.Fases(0).SPMProperties.molarflow.GetValueOrDefault For Each s2 As Substancia In ims.Fases(0).Componentes.Values If DN.ContainsKey(s2.Nome) Then Nsum += N(s2.Nome) Else Nsum += s2.MolarFlow.GetValueOrDefault End If Next For Each s2 As Substancia In ims.Fases(0).Componentes.Values If DN.ContainsKey(s2.Nome) Then s2.FracaoMolar = (ims.Fases(0).Componentes(s2.Nome).MolarFlow.GetValueOrDefault + DN(s2.Nome)) / Nsum s2.MolarFlow = ims.Fases(0).Componentes(s2.Nome).MolarFlow.GetValueOrDefault + DN(s2.Nome) Else s2.FracaoMolar = ims.Fases(0).Componentes(s2.Nome).MolarFlow.GetValueOrDefault / Nsum s2.MolarFlow = ims.Fases(0).Componentes(s2.Nome).MolarFlow.GetValueOrDefault End If Next ims.Fases(0).SPMProperties.molarflow = Nsum Dim mmm As Double = 0 Dim mf As Double = 0 For Each s3 As Substancia In ims.Fases(0).Componentes.Values mmm += s3.FracaoMolar.GetValueOrDefault * s3.ConstantProperties.Molar_Weight Next For Each s3 As Substancia In ims.Fases(0).Componentes.Values s3.FracaoMassica = s3.FracaoMolar.GetValueOrDefault * s3.ConstantProperties.Molar_Weight / mmm s3.MassFlow = s3.FracaoMassica.GetValueOrDefault * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault mf += s3.MassFlow.GetValueOrDefault Next

'Ideal Gas Products Enthalpy (kJ/kg * kg/s = kW) Hid_p += 0 'ppr.RET_Hid(298.15, ims.Fases(0).SPMProperties.temperature.GetValueOrDefault, PropertyPackages.Fase.Mixture) * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault Dim NS As New Dictionary(Of String, Double) i = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) If NS.ContainsKey(rxn.BaseReactant) Then NS(rxn.BaseReactant) += Rxi(rxn.ID) Else NS.Add(rxn.BaseReactant, Rxi(rxn.ID)) End If i += 1 Loop Until i = ar.Count i = 0 Do 'process reaction i rxn = form.Options.Reactions(ar(i)) 'Heat released (or absorbed) (kJ/s = kW) (Ideal Gas) Select Case Me.ReactorOperationMode Case OperationMode.Adiabatic DHr = rxn.ReactionHeat * Abs(DN(rxn.BaseReactant)) / 1000 * Rxi(rxn.ID) / Ri(rxn.BaseReactant) Case OperationMode.Isothermic DHr += rxn.ReactionHeat * Abs(DN(rxn.BaseReactant)) / 1000 * Rxi(rxn.ID) / Ri(rxn.BaseReactant) End Select DHRi.Add(rxn.ID, DHr) i += 1 Loop Until i = ar.Count ' comp. conversions For Each sb As Substancia In ims.Fases(0).Componentes.Values If Me.ComponentConversions.ContainsKey(sb.Nome) Then Me.ComponentConversions(sb.Nome) += -DNT(sb.Nome) / N00(sb.Nome) End If Next 'do a flash calc (calculate final temperature/enthalpy) Select Case Me.ReactorOperationMode Case OperationMode.Adiabatic

Me.DeltaQ = form.Collections.CLCS_EnergyStreamCollection(Me.GraphicObject.InputConnecto rs(1).AttachedConnector.AttachedFrom.Name).Energia.GetValueOrDefault 'Products Enthalpy (kJ/kg * kg/s = kW) Hp = Me.DeltaQ.GetValueOrDefault + Hr + Hid_p Hid_r - DHr tmp = Me.PropertyPackage.DW_CalcEquilibrio_ISOL(PropertyPackages.FlashSpec.P, PropertyPackages.FlashSpec.H, Pout, Hp / ims.Fases(0).SPMProperties.massflow.GetValueOrDefault, Tin) Dim Tout As Double = tmp(2) Me.DeltaT = Tout - Tin ims.Fases(0).SPMProperties.temperature = Tout With pp .DW_CalcEquilibrium(DWSIM.SimulationObjects.PropertyPackages.FlashSpec.T, DWSIM.SimulationObjects.PropertyPackages.FlashSpec.P) If ims.Fases(3).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid1) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid1) End If If ims.Fases(4).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid2) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid2) End If If ims.Fases(5).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid3) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid3) End If If ims.Fases(6).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Aqueous) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Aqueous) End If If ims.Fases(7).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Solid) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Solid)

End If If ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) End If If ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault >= 0 And ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault < 1 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid) End If .DW_CalcCompMolarFlow(-1) .DW_CalcCompMassFlow(-1) .DW_CalcCompVolFlow(-1) .DW_CalcOverallProps() .DW_CalcTwoPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid, DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) .DW_CalcVazaoVolumetrica() .DW_CalcKvalue() End With Case OperationMode.Isothermic With pp .DW_CalcEquilibrium(DWSIM.SimulationObjects.PropertyPackages.FlashSpec.T, DWSIM.SimulationObjects.PropertyPackages.FlashSpec.P) If ims.Fases(3).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid1) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid1) End If If ims.Fases(4).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid2) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid2) End If If ims.Fases(5).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid3) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid3)

End If If ims.Fases(6).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Aqueous) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Aqueous) End If If ims.Fases(7).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Solid) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Solid) End If If ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault > 0 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) End If If ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault >= 0 And ims.Fases(2).SPMProperties.molarfraction.GetValueOrDefault < 1 Then .DW_CalcPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid) Else .DW_ZerarPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid) End If .DW_CalcCompMolarFlow(-1) .DW_CalcCompMassFlow(-1) .DW_CalcCompVolFlow(-1) .DW_CalcOverallProps() .DW_CalcTwoPhaseProps(DWSIM.SimulationObjects.PropertyPackages.Fase.Liquid, DWSIM.SimulationObjects.PropertyPackages.Fase.Vapor) .DW_CalcVazaoVolumetrica() .DW_CalcKvalue() End With End Select Next If Me.ReactorOperationMode = OperationMode.Isothermic Then 'Products Enthalpy (kJ/kg * kg/s = kW) Hp = ims.Fases(0).SPMProperties.enthalpy.GetValueOrDefault * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault 'Heat (kW) Me.DeltaQ = DHr + Hp - Hr0 Me.DeltaT = Tin - Tin0 End If

Dim ms As DWSIM.SimulationObjects.Streams.MaterialStream Dim cp As ConnectionPoint Dim mtotal, wtotal As Double cp = Me.GraphicObject.OutputConnectors(0) If cp.IsAttached Then ms = form.Collections.CLCS_MaterialStreamCollection(cp.AttachedConnector.Attache dTo.Name) With ms .Fases(0).SPMProperties.massflow = ims.Fases(0).SPMProperties.massflow.GetValueOrDefault .Fases(0).SPMProperties.massfraction = 1 .Fases(0).SPMProperties.temperature = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault .Fases(0).SPMProperties.pressure = ims.Fases(0).SPMProperties.pressure.GetValueOrDefault .Fases(0).SPMProperties.enthalpy = ims.Fases(0).SPMProperties.enthalpy.GetValueOrDefault Dim comp As DWSIM.ClassesBasicasTermodinamica.Substancia mtotal = 0 wtotal = 0 For Each comp In .Fases(0).Componentes.Values mtotal += ims.Fases(0).Componentes(comp.Nome).FracaoMolar.GetValueOrDefault wtotal += ims.Fases(0).Componentes(comp.Nome).FracaoMassica.GetValueOrDefault Next For Each comp In .Fases(0).Componentes.Values comp.FracaoMolar = ims.Fases(0).Componentes(comp.Nome).FracaoMolar.GetValueOrDefault / mtotal comp.FracaoMassica = ims.Fases(0).Componentes(comp.Nome).FracaoMassica.GetValueOrDefault / wtotal comp.MassFlow = comp.FracaoMassica.GetValueOrDefault * .Fases(0).SPMProperties.massflow.GetValueOrDefault comp.MolarFlow = comp.FracaoMolar.GetValueOrDefault * .Fases(0).SPMProperties.molarflow.GetValueOrDefault Next End With End If 'Corrente de energia - atualizar valor da potncia (kJ/s) With form.Collections.CLCS_EnergyStreamCollection(Me.GraphicObject.InputConnecto rs(1).AttachedConnector.AttachedFrom.Name) .Energia = Me.DeltaQ.GetValueOrDefault .GraphicObject.Calculated = True End With 'Call function to calculate flowsheet With objargs .Calculado = True .Nome = Me.Nome .Tag = Me.GraphicObject.Tag .Tipo = TipoObjeto.RCT_CSTR End With form.CalculationQueue.Enqueue(objargs)

End Function Public Overrides Function DeCalculate() As Integer 'If Not Me.GraphicObject.InputConnectors(0).IsAttached Then Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedematriac10")) 'If Not Me.GraphicObject.OutputConnectors(0).IsAttached Then Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedematriac11")) 'If Not Me.GraphicObject.OutputConnectors(1).IsAttached Then Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedematriac11")) Dim form As Global.DWSIM.FormFlowsheet = My.Application.ActiveSimulation 'Dim ems As DWSIM.SimulationObjects.Streams.MaterialStream = form.Collections.CLCS_MaterialStreamCollection(Me.GraphicObject.InputConnec tors(0).AttachedConnector.AttachedFrom.Name) 'Dim W As Double = ems.Fases(0).SPMProperties.massflow.GetValueOrDefault Dim j As Integer = 0 Dim ms As DWSIM.SimulationObjects.Streams.MaterialStream Dim cp As ConnectionPoint cp = Me.GraphicObject.OutputConnectors(0) If cp.IsAttached Then ms = form.Collections.CLCS_MaterialStreamCollection(cp.AttachedConnector.Attache dTo.Name) With ms .Fases(0).SPMProperties.temperature = Nothing .Fases(0).SPMProperties.pressure = Nothing .Fases(0).SPMProperties.enthalpy = Nothing Dim comp As DWSIM.ClassesBasicasTermodinamica.Substancia j = 0 For Each comp In .Fases(0).Componentes.Values comp.FracaoMolar = 0 comp.FracaoMassica = 0 j += 1 Next .Fases(0).SPMProperties.massflow = Nothing .Fases(0).SPMProperties.massfraction = 1 .Fases(0).SPMProperties.molarfraction = 1 .GraphicObject.Calculated = False End With End If 'Call function to calculate flowsheet Dim objargs As New DWSIM.Outros.StatusChangeEventArgs With objargs .Calculado = False .Nome = Me.Nome .Tipo = TipoObjeto.RCT_CSTR End With form.CalculationQueue.Enqueue(objargs) End Function

Public Overrides Sub QTFillNodeItems() End Sub Public Overrides Sub UpdatePropertyNodes(ByVal su As SistemasDeUnidades.Unidades, ByVal nf As String) End Sub Public Overrides Sub PopulatePropertyGrid(ByRef pgrid As PropertyGridEx.PropertyGridEx, ByVal su As SistemasDeUnidades.Unidades) Dim Conversor As New DWSIM.SistemasDeUnidades.Conversor With pgrid .PropertySort = PropertySort.Categorized .ShowCustomProperties = True .Item.Clear() MyBase.PopulatePropertyGrid(pgrid, su) Dim ent, saida, energ As String If Me.GraphicObject.InputConnectors(0).IsAttached = True Then ent = Me.GraphicObject.InputConnectors(0).AttachedConnector.AttachedFrom.Tag Else ent = "" End If If Me.GraphicObject.OutputConnectors(0).IsAttached = True Then saida = Me.GraphicObject.OutputConnectors(0).AttachedConnector.AttachedTo.Tag Else saida = "" End If If Me.GraphicObject.InputConnectors(1).IsAttached = True Then energ = Me.GraphicObject.InputConnectors(1).AttachedConnector.AttachedFrom.Tag Else energ = "" End If .Item.Add(DWSIM.App.GetLocalString("Correntedeentrada"), ent, False, DWSIM.App.GetLocalString("Conexes1"), "", True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .CustomEditor = New DWSIM.Editors.Streams.UIInputMSSelector End With .Item.Add(DWSIM.App.GetLocalString("Correntedesada"), saida, False, DWSIM.App.GetLocalString("Conexes1"), "", True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .CustomEditor = New DWSIM.Editors.Streams.UIOutputMSSelector

End With .Item.Add(DWSIM.App.GetLocalString("Correntedeenergia"), energ, False, DWSIM.App.GetLocalString("Conexes1"), "", True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .CustomEditor = New DWSIM.Editors.Streams.UIInputESSelector End With .Item.Add(DWSIM.App.GetLocalString("RConvPGridItem1"), FlowSheet.Options.ReactionSets(Me.ReactionSetID).Name, False, DWSIM.App.GetLocalString("Parmetrosdeclculo2"), DWSIM.App.GetLocalString("RConvPGridItem1Help"), True) With .Item(.Item.Count - 1) .CustomEditor = New DWSIM.Editors.Reactors.UIReactionSetSelector .IsDropdownResizable = True End With .Item.Add(DWSIM.App.GetLocalString("RConvPGridItem2"), Me, "ReactorOperationMode", False, DWSIM.App.GetLocalString("Parmetrosdeclculo2"), DWSIM.App.GetLocalString("RConvPGridItem2Help"), True) With .Item(.Item.Count - 1) .IsBrowsable = False End With Dim valor As String If Me.ReactorOperationMode = OperationMode.Isothermic Then valor = Format(Conversor.ConverterDoSI(su.spmp_temperature, Me.IsothermalTemperature), FlowSheet.Options.NumberFormat) .Item.Add(FT(DWSIM.App.GetLocalString("RSCTRIsothermalTemperature"), su.spmp_temperature), valor, False, DWSIM.App.GetLocalString("Parmetrosdeclculo2"), DWSIM.App.GetLocalString("RCSTRPGridItem1Help"), True) End If valor = Format(Conversor.ConverterDoSI(su.spmp_deltaP, Me.DeltaP.GetValueOrDefault), FlowSheet.Options.NumberFormat) .Item.Add(FT(DWSIM.App.GetLocalString("Quedadepresso"), su.spmp_deltaP), valor, False, DWSIM.App.GetLocalString("Parmetrosdeclculo2"), DWSIM.App.GetLocalString("Quedadepressoaplicad6"), True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .DefaultType = GetType(Nullable(Of Double)) End With valor = Format(Conversor.ConverterDoSI(su.volume, Me.Volume), FlowSheet.Options.NumberFormat) .Item.Add(FT(DWSIM.App.GetLocalString("RCSTRPGridItem1"), su.volume), valor, False, DWSIM.App.GetLocalString("Parmetrosdeclculo2"), DWSIM.App.GetLocalString("RCSTRPGridItem1Help"), True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .DefaultType = GetType(Nullable(Of Double)) End With

If Me.GraphicObject.Calculated Then .Item.Add(FT(DWSIM.App.GetLocalString("DeltaT2"), su.spmp_deltaT), Format(Conversor.ConverterDoSI(su.spmp_deltaT, Me.DeltaT.GetValueOrDefault), FlowSheet.Options.NumberFormat), True, DWSIM.App.GetLocalString("Resultados3"), DWSIM.App.GetLocalString("Diferenadetemperatur"), True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .DefaultType = GetType(Nullable(Of Double)) End With .Item.Add(FT(DWSIM.App.GetLocalString("RConvPGridItem3"), su.spmp_heatflow), Format(Conversor.ConverterDoSI(su.spmp_heatflow, Me.DeltaQ.GetValueOrDefault), FlowSheet.Options.NumberFormat), True, DWSIM.App.GetLocalString("Resultados3"), "", True) With .Item(.Item.Count - 1) .DefaultValue = Nothing .DefaultType = GetType(Nullable(Of Double)) End With 'CustomPropertyCollection Dim m As New PropertyGridEx.CustomPropertyCollection() For Each dbl As KeyValuePair(Of String, Double) In Me.ComponentConversions valor = Format(dbl.Value * 100, FlowSheet.Options.NumberFormat) If dbl.Value >= 0 Then m.Add(DWSIM.App.GetComponentName(dbl.Key), valor, False, DWSIM.App.GetLocalString("ComponentesConversoes"), DWSIM.App.GetLocalString("RCSTRPGridItem3Help"), True) m.Item(m.Count - 1).IsReadOnly = True m.Item(m.Count - 1).DefaultValue = Nothing m.Item(m.Count - 1).DefaultType = GetType(Nullable(Of Double)) End If Next .Item.Add(DWSIM.App.GetLocalString("ComponentesConversoes") & " (%)", m, True, DWSIM.App.GetLocalString("Resultados3"), DWSIM.App.GetLocalString("RCSTRPGridItem2Help"), True) With .Item(.Item.Count - 1) .IsReadOnly = True .IsBrowsable = True .BrowsableLabelStyle = PropertyGridEx.BrowsableTypeConverter.LabelStyle.lsEllipsis .CustomEditor = New System.Drawing.Design.UITypeEditor End With 'CustomPropertyCollection Dim m2 As New PropertyGridEx.CustomPropertyCollection() For Each dbl As KeyValuePair(Of String, Double) In Rxi m2.Add(form.Options.Reactions(dbl.Key).Name, Format(dbl.Value / C(form.Options.Reactions(dbl.Key).BaseReactant), FlowSheet.Options.NumberFormat), False, DWSIM.App.GetLocalString("ReactionExtents"), DWSIM.App.GetLocalString(""), True)

m2.Item(m2.Count - 1).IsReadOnly = True m2.Item(m2.Count - 1).DefaultValue = Nothing m2.Item(m2.Count - 1).DefaultType = GetType(Nullable(Of Double)) Next .Item.Add(FT(DWSIM.App.GetLocalString("ReactionExtents"), su.spmp_molarflow), m2, True, DWSIM.App.GetLocalString("Resultados3"), DWSIM.App.GetLocalString(""), True) With .Item(.Item.Count - 1) .IsReadOnly = True .IsBrowsable = True .BrowsableLabelStyle = PropertyGridEx.BrowsableTypeConverter.LabelStyle.lsEllipsis .CustomEditor = New System.Drawing.Design.UITypeEditor End With 'CustomPropertyCollection Dim m3 As New PropertyGridEx.CustomPropertyCollection() For Each dbl As KeyValuePair(Of String, Double) In Rxi m3.Add(form.Options.Reactions(dbl.Key).Name, Format(dbl.Value / C(form.Options.Reactions(dbl.Key).BaseReactant) / Me.Volume, FlowSheet.Options.NumberFormat), False, DWSIM.App.GetLocalString("ReactionExtents"), DWSIM.App.GetLocalString(""), True) m3.Item(m3.Count - 1).IsReadOnly = True m3.Item(m3.Count - 1).DefaultValue = Nothing m3.Item(m3.Count - 1).DefaultType = GetType(Nullable(Of Double)) Next .Item.Add(FT(DWSIM.App.GetLocalString("ReactionRates"), su.reac_rate), m3, True, DWSIM.App.GetLocalString("Resultados3"), DWSIM.App.GetLocalString(""), True) With .Item(.Item.Count - 1) .IsReadOnly = True .IsBrowsable = True .BrowsableLabelStyle = PropertyGridEx.BrowsableTypeConverter.LabelStyle.lsEllipsis .CustomEditor = New System.Drawing.Design.UITypeEditor End With 'CustomPropertyCollection Dim m4 As New PropertyGridEx.CustomPropertyCollection() For Each dbl As KeyValuePair(Of String, Double) In DHRi m4.Add(form.Options.Reactions(dbl.Key).Name, Format(Conversor.ConverterDoSI(su.spmp_heatflow, dbl.Value), FlowSheet.Options.NumberFormat), False, DWSIM.App.GetLocalString("ReactionHeats"), DWSIM.App.GetLocalString(""), True) m4.Item(m4.Count - 1).IsReadOnly = True m4.Item(m4.Count - 1).DefaultValue = Nothing m4.Item(m4.Count - 1).DefaultType = GetType(Nullable(Of Double)) Next

.Item.Add(FT(DWSIM.App.GetLocalString("ReactionHeats"), su.spmp_heatflow), m4, True, DWSIM.App.GetLocalString("Resultados3"), DWSIM.App.GetLocalString(""), True) With .Item(.Item.Count - 1) .IsReadOnly = True .IsBrowsable = True .BrowsableLabelStyle = PropertyGridEx.BrowsableTypeConverter.LabelStyle.lsEllipsis .CustomEditor = New System.Drawing.Design.UITypeEditor End With End If End With End Sub Public Overrides Function GetPropertyValue(ByVal prop As String, Optional ByVal su As SistemasDeUnidades.Unidades = Nothing) As Object If su Is Nothing Then su = New DWSIM.SistemasDeUnidades.UnidadesSI Dim cv As New DWSIM.SistemasDeUnidades.Conversor Dim value As Double = 0 Dim propidx As Integer = CInt(prop.Split("_")(2)) Select Case propidx Case 0 'PROP_HT_0 Pressure Drop value = cv.ConverterDoSI(su.spmp_deltaP, Me.DeltaP.GetValueOrDefault) End Select Return value End Function Public Overloads Overrides Function GetProperties(ByVal proptype As SimulationObjects_BaseClass.PropertyType) As String() Dim i As Integer = 0 Dim proplist As New ArrayList Select Case proptype Case PropertyType.RW For i = 0 To 0 proplist.Add("PROP_CS_" + CStr(i)) Next Case PropertyType.WR For i = 0 To 0 proplist.Add("PROP_CS_" + CStr(i)) Next Case PropertyType.ALL For i = 0 To 0 proplist.Add("PROP_CS_" + CStr(i)) Next End Select Return proplist.ToArray(GetType(System.String)) proplist = Nothing End Function

Public Overrides Function SetPropertyValue(ByVal prop As String, ByVal propval As Object, Optional ByVal su As DWSIM.SistemasDeUnidades.Unidades = Nothing) As Object If su Is Nothing Then su = New DWSIM.SistemasDeUnidades.UnidadesSI Dim cv As New DWSIM.SistemasDeUnidades.Conversor Dim propidx As Integer = CInt(prop.Split("_")(2)) Select Case propidx Case 0 'PROP_HT_0 Pressure Drop Me.DeltaP = cv.ConverterParaSI(su.spmp_deltaP, propval) End Select Return 1 End Function Public Overrides Function GetPropertyUnit(ByVal prop As String, Optional ByVal su As SistemasDeUnidades.Unidades = Nothing) As Object If su Is Nothing Then su = New DWSIM.SistemasDeUnidades.UnidadesSI Dim cv As New DWSIM.SistemasDeUnidades.Conversor Dim value As String = "" Dim propidx As Integer = CInt(prop.Split("_")(2)) Select Case propidx Case 0 'PROP_HT_0 Pressure Drop value = su.spmp_deltaP End Select Return value End Function End Class End Namespace