PFR Calculation Routines

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

Imports Microsoft.MSDN.Samples.GraphicObjectsImports DWSIM.DWSIM.ClassesBasicasTermodinamicaImports Ciloci.FleeImports System.MathImports DWSIM.DWSIM.MathExImports DWSIM.DWSIM.Flowsheet.FlowSheetSolver

Namespace DWSIM.SimulationObjects.Reactors

<System.Serializable()> Public Class Reactor_PFR

Inherits Reactor

Protected m_vol As Double Protected m_dv As Double = 0.05

Dim C0 As Dictionary(Of String, Double) Dim C As Dictionary(Of String, Double) Dim Ri As Dictionary(Of String, Double) Dim Kf, Kr As ArrayList Dim DN As Dictionary(Of String, Double) Dim N00 As Dictionary(Of String, Double) Dim Rxi As Dictionary(Of String, Double) Dim DHRi As Dictionary(Of String, Double)

Public points As ArrayList

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 Volume() As Double Get Return m_vol End Get Set(ByVal value As Double) m_vol = value

End Set End Property

Public Property dV() As Double Get Return m_dv End Get Set(ByVal value As Double) m_dv = 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) DHRi = New Dictionary(Of String, Double) Kf = New ArrayList Kr = New ArrayList Rxi = New Dictionary(Of String, Double)

End Sub

Public Sub ODEFunc(ByVal y As Double(), ByRef dy As Double())

Dim i As Integer = 0 Dim j As Integer = 0 Dim scBC As Double = 0 Dim BC As String = ""

'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

points = New ArrayList

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_PFR 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_PFR 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_PFR End With CalculateFlowsheet(FlowSheet, objargs, Nothing) Throw New Exception(DWSIM.App.GetLocalString("Nohcorrentedeenerg17")) End If ims = form.Collections.CLCS_MaterialStreamCollection(Me.GraphicObject.InputConnectors(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) N00.Clear()

Dim scBC, DHr, Hid_r, Hid_p, Hr, Hr0, Hp, T, T0, P, P0 As Double Dim BC As String = "" Dim tmp As Object Dim maxXarr As New ArrayList

'Reactants Enthalpy (kJ/kg * kg/s = kW) (ISOTHERMIC) Hr0 = ims.Fases(0).SPMProperties.enthalpy.GetValueOrDefault * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault

T0 = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault P0 = ims.Fases(0).SPMProperties.pressure.GetValueOrDefault

'do the calculations on each dV Dim currvol As Double = 0 Do

C = New Dictionary(Of String, Double) C0 = New Dictionary(Of String, Double)

Kf = New ArrayList(Me.Reactions.Count) Kr = New ArrayList(Me.Reactions.Count)

T = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault P = ims.Fases(0).SPMProperties.pressure.GetValueOrDefault

'Reactants Enthalpy (kJ/kg * kg/s = kW) Hr = ims.Fases(0).SPMProperties.enthalpy.GetValueOrDefault * ims.Fases(0).SPMProperties.massflow.GetValueOrDefault

'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


Ri.Clear() Rxi.Clear()

i = 0 Do

'process reaction i rxn = form.Options.Reactions(ar(i)) BC = rxn.BaseReactant scBC = rxn.Components(BC).StoichCoeff


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


If Not Ri.ContainsKey(sb.CompName) Then Ri.Add(sb.CompName, 0) End If

Next


Ri(sb.CompName) += rx * sb.StoichCoeff / rxn.Components(BC).StoichCoeff

Next

i += 1


' ' 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, currvol, vc, Ri.Count, 0.01 * currvol, 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


''comp. conversions If Not Me.ComponentConversions.ContainsKey(sb.CompName) Then Me.ComponentConversions.Add(sb.CompName, 0) End If

Next

i += 1


For Each sb As String In Me.ComponentConversions.Keys N(sb) = N0(sb) * (1 - (C0(sb) - C(sb)) / C0(sb)) 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

Dim NS As New Dictionary(Of String, Double)

i = 0 Do


If NS.ContainsKey(rxn.BaseReactant) Then NS(rxn.BaseReactant) += Rxi(rxn.ID) Else

NS.Add(rxn.BaseReactant, Rxi(rxn.ID)) End If

i += 1


DHRi.Clear()

i = 0 Do


'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


'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

'do a flash calc (calculate final temperature/enthalpy)

Select Case Me.ReactorOperationMode

Case OperationMode.Adiabatic

Me.DeltaQ = form.Collections.CLCS_EnergyStreamCollection(Me.GraphicObject.InputConnectors(1).AttachedConnector.AttachedFrom.Name).Energia.GetValueOrDefault

'Products Enthalpy (kJ/kg * kg/s = kW) Hp = Me.dV * Me.DeltaQ.GetValueOrDefault + Hr + Hid_p - Hid_r - DHr

tmp = Me.PropertyPackage.DW_CalcEquilibrio_ISOL(PropertyPackages.FlashSpec.P, PropertyPackages.FlashSpec.H, P, Hp / ims.Fases(0).SPMProperties.massflow.GetValueOrDefault, T) Dim Tout As Double = tmp(2)

Me.DeltaT = Me.DeltaT.GetValueOrDefault + Tout - T ims.Fases(0).SPMProperties.temperature = Tout T = ims.Fases(0).SPMProperties.temperature.GetValueOrDefault

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

' comp. conversions For Each sb As Substancia In ims.Fases(0).Componentes.Values If Me.ComponentConversions.ContainsKey(sb.Nome) Then Me.ComponentConversions(sb.Nome) += -DN(sb.Nome) / N00(sb.Nome) End If Next

'add data to array Dim tmparr(C.Count + 2) As Double tmparr(0) = currvol i = 1 For Each d As Double In Me.C.Values tmparr(i) = d i = i + 1 Next tmparr(i) = T tmparr(i + 1) = P

Me.points.Add(tmparr)

P -= Me.DeltaP.GetValueOrDefault * Me.dV ims.Fases(0).SPMProperties.pressure = P

currvol += Me.dV * Me.Volume

CheckCalculatorStatus()

Loop Until currvol - Me.Volume > dV * Me.Volume * 0.98

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 = 0

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.AttachedTo.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 pot�ncia (kJ/s) With form.Collections.CLCS_EnergyStreamCollection(Me.GraphicObject.InputConnectors(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_PFR

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.InputConnectors(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.AttachedTo.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_PFR 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 = 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

.Item.Add(DWSIM.App.GetLocalString("RPFRPGridItem1"), Me, "dV", False, DWSIM.App.GetLocalString("Parmetrosdeclculo2"), DWSIM.App.GetLocalString("RPFRPGridItem1Help"), 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

.Item.Add(DWSIM.App.GetLocalString("RPFRPGridItem2"), Me, "points", False, DWSIM.App.GetLocalString("Resultados3"), DWSIM.App.GetLocalString("RPFRPGridItem2Help"), True) With .Item(.Item.Count - 1) .DefaultType = GetType(Global.DWSIM.DWSIM.Editors.PipeEditor.ThermalEditorDefinitions) .CustomEditor = New DWSIM.Editors.Results.UIFormGraphPFR 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_PF_" + CStr(i)) Next Case PropertyType.WR For i = 0 To 0 proplist.Add("PROP_PF_" + CStr(i)) Next Case PropertyType.ALL For i = 0 To 0 proplist.Add("PROP_PF_" + 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

Documents

PFR Calculation Routines