Expression GetFactor(MaterialStream stream)
{
switch (Type)
{
case ReactionType.EQLA:
Expression lnK = Coefficients[0];
if (Coefficients.Count > 1)
{
lnK += Coefficients[1] / stream.Mixed.Temperature;
}
if (Coefficients.Count > 2)
{
lnK += Coefficients[2] * Sym.Ln(stream.Mixed.Temperature);
}
if (Coefficients.Count > 3)
{
lnK += Coefficients[3] * stream.Mixed.Temperature;
}
if (Coefficients.Count > 4)
{
lnK += Coefficients[4] * Sym.Pow(stream.Mixed.Temperature, 2.0);
}
if (Coefficients.Count > 5)
{
lnK += Coefficients[5] * Sym.Pow(stream.Mixed.Temperature, 3.0);
}
return(Sym.Exp(lnK));
}
return(1);
}
public bool CalculatePQ(MaterialStream stream, double enthalpy)
{
var copy = new MaterialStream("copy", stream.System);
copy.CopyFrom(stream);
PrecalculateTP(copy);
var problem2 = new EquationSystem()
{
Name = "PQ-Flash"
};
copy.GetVariable("p").IsFixed = true;
copy.GetVariable("T").IsFixed = false;
copy.GetVariable("VF").IsFixed = false;
copy.Init("VF", stream.Vfmolar.ValueInSI);
foreach (var comp in stream.System.Components)
{
copy.GetVariable("n[" + comp.ID + "]").IsFixed = true;
}
problem2.AddConstraints((copy.Mixed.SpecificEnthalpy * copy.Mixed.TotalMolarflow).IsEqualTo(enthalpy));
copy.FillEquationSystem(problem2);
var solver = new Decomposer();
solver.Solve(problem2);
performMassBalance(copy, copy.KValues);
performDensityUpdate(copy);
performEnthalpyUpdate(copy);
stream.CopyFrom(copy);
return(true);
}
EquationSystem GetEquationSystem(MaterialStream stream)
{
var eq = new EquationSystem();
eq.TreatFixedVariablesAsConstants = true;
stream.FillEquationSystem(eq);
return(eq);
}
public TraySection ConnectFeed(MaterialStream stream, int stage, PhaseState phase = PhaseState.LiquidVapor)
{
_feeds.Add(new TrayConnectivity()
{
Stage = stage, Stream = stream, Phase = phase
});
Connect("Feeds", stream);
return(this);
}
string GetStreamProperty(string property, MaterialStream stream)
{
// var connection = visual.GetStreamByName(stream.Name);
switch (property)
{
case "Name":
return(stream.Name);
/* case "From Unit":
* if (connection != null)
* {
* if (connection.Source == null)
* return "";
* if (connection.Source.Owner != null)
* return connection.Source.Owner.Name;
* }
* return "";
* case "From Port":
* if (connection != null)
* {
* if (connection.Source != null)
* return connection.Source.Name;
* }
* return "";
* case "To Unit":
* if (connection != null)
* {
* if (connection.Sink == null)
* return "";
* if (connection.Sink.Owner != null)
* return connection.Sink.Owner.Name;
* }
* return "";
* case "To Port":
* if (connection != null)
* {
* if (connection.Sink != null)
* return connection.Sink.Name;
* }
* return "";
*/
case "Temperature":
return(stream.Mixed.Temperature.ValueInOutputUnit.ToString("G4"));
case "Pressure":
return(stream.Mixed.Pressure.ValueInOutputUnit.ToString("G4"));
case "Vapour Fraction":
return(stream.Vfmolar.ValueInOutputUnit.ToString("P1"));
case "Enthalpy":
return(stream.Mixed.SpecificEnthalpy.ValueInOutputUnit.ToString("G4"));
}
return("");
}
public StreamTableElement RemoveMaterialStream(MaterialStream stream)
{
if (Streams.Contains(stream))
{
Streams.Remove(stream);
}
else
{
throw new InvalidOperationException("Stream " + stream.Name + " not included in streamtable");
}
return(this);
}
public TraySection ConnectVaporSidestream(MaterialStream stream, int stage, double factor)
{
var con = new TrayConnectivity()
{
Stage = stage, Stream = stream, Phase = PhaseState.Vapour
};
con.Factor.ValueInSI = factor;
_sidestream.Add(con);
Connect("Sidestreams", stream);
return(this);
}
public StreamTableElement AddMaterialStream(MaterialStream stream)
{
if (!Streams.Contains(stream))
{
Streams.Add(stream);
}
else
{
throw new InvalidOperationException("Stream " + stream.Name + " already included in streamtable");
}
return(this);
}
private void performMassBalance(MaterialStream stream, Variable[] K)
{
var NC = stream.System.Components.Count;
stream.Vapor.TotalMolarflow.ValueInSI = stream.Vfmolar.ValueInSI * stream.Mixed.TotalMolarflow.ValueInSI;
stream.Liquid.TotalMolarflow.ValueInSI = stream.Mixed.TotalMolarflow.ValueInSI - stream.Vapor.TotalMolarflow.ValueInSI;
var eval = new Evaluator();
for (int i = 0; i < NC; i++)
{
eval.Reset();
stream.Liquid.ComponentMolarFraction[i].ValueInSI = (stream.Mixed.ComponentMolarFraction[i] / (1 + stream.Vfmolar * (K[i] - 1))).Eval(eval);
stream.Vapor.ComponentMolarFraction[i].ValueInSI = (stream.Liquid.ComponentMolarFraction[i] * K[i]).Eval(eval);
stream.Liquid.ComponentMolarflow[i].ValueInSI = stream.Liquid.ComponentMolarFraction[i].ValueInSI * stream.Liquid.TotalMolarflow.ValueInSI;
stream.Vapor.ComponentMolarflow[i].ValueInSI = stream.Vapor.ComponentMolarFraction[i].ValueInSI * stream.Vapor.TotalMolarflow.ValueInSI;
stream.Liquid.ComponentMassflow[i].ValueInSI = (stream.Liquid.ComponentMolarflow[i] * Sym.Convert(stream.System.Components[i].GetConstant(ConstantProperties.MolarWeight), stream.System.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Mass] / stream.System.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Mole])).Eval(eval);
stream.Vapor.ComponentMassflow[i].ValueInSI = (stream.Vapor.ComponentMolarflow[i] * Sym.Convert(stream.System.Components[i].GetConstant(ConstantProperties.MolarWeight), stream.System.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Mass] / stream.System.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Mole])).Eval(eval);
stream.Mixed.ComponentMassflow[i].ValueInSI = (stream.Mixed.ComponentMolarflow[i] * Sym.Convert(stream.System.Components[i].GetConstant(ConstantProperties.MolarWeight), stream.System.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Mass] / stream.System.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Mole])).Eval(eval);
}
stream.Mixed.TotalMassflow.ValueInSI = stream.Mixed.ComponentMassflow.Sum(v => v.ValueInSI);
stream.Vapor.TotalMassflow.ValueInSI = stream.Vapor.ComponentMassflow.Sum(v => v.ValueInSI);
stream.Liquid.TotalMassflow.ValueInSI = stream.Liquid.ComponentMassflow.Sum(v => v.ValueInSI);
for (int i = 0; i < NC; i++)
{
eval.Reset();
if (stream.Liquid.TotalMassflow.ValueInSI <= 1e-8)
{
stream.Liquid.ComponentMassFraction[i].ValueInSI = 0;
}
else
{
stream.Liquid.ComponentMassFraction[i].ValueInSI = (stream.Liquid.ComponentMassflow[i] / stream.Liquid.TotalMassflow).Eval(eval);
}
if (stream.Vapor.TotalMassflow.ValueInSI <= 1e-8)
{
stream.Vapor.ComponentMassFraction[i].ValueInSI = 0;
}
else
{
stream.Vapor.ComponentMassFraction[i].ValueInSI = (stream.Vapor.ComponentMassflow[i] / stream.Vapor.TotalMassflow).Eval(eval);
}
stream.Mixed.ComponentMassFraction[i].ValueInSI = (stream.Mixed.ComponentMassflow[i] / stream.Mixed.TotalMassflow.ValueInSI).Eval(eval);
}
}
private void performDensityUpdate(MaterialStream stream)
{
var NC = stream.System.Components.Count;
var eval = new Evaluator();
for (int i = 0; i < NC; i++)
{
stream.Liquid.ComponentMolarVolume[i].ValueInSI = 1.0 / stream.System.EquationFactory.GetLiquidDensityExpression(stream.System,
stream.System.Components[i], stream.Mixed.Temperature, stream.Mixed.Pressure).Eval(eval);
stream.Vapor.ComponentMolarVolume[i].ValueInSI = 1.0 / stream.System.EquationFactory.GetVaporDensityExpression(stream.System,
stream.System.Components[i], stream.Mixed.Temperature, stream.Mixed.Pressure).Eval(eval);
stream.Mixed.ComponentMolarVolume[i].ValueInSI = (stream.Liquid.ComponentMolarVolume[i] + stream.Vapor.ComponentMolarVolume[i]).Eval(eval);
}
}
public void FlashTrays()
{
var flash = new FlashRoutines(new Numerics.Solvers.Newton());
MaterialStream stageStream = new MaterialStream("Stage", System);
var VIn = FindMaterialPort("VIn");
var LIn = FindMaterialPort("LIn");
for (int i = 0; i < NumberOfTrays; i++)
{
FlashCurrentStage(flash, stageStream, VIn, LIn, i);
}
for (int i = NumberOfTrays - 1; i >= 0; i--)
{
FlashCurrentStage(flash, stageStream, VIn, LIn, i);
}
}
private void performEnthalpyUpdate(MaterialStream stream)
{
var NC = stream.System.Components.Count;
var eval = new Evaluator();
stream.Vapor.SpecificEnthalpy.ValueInSI = (Sym.Par(Sym.Sum(0, NC, (idx) => stream.Vapor.ComponentMolarFraction[idx] * stream.System.EquationFactory.GetVaporEnthalpyExpression(stream.System, idx, stream.Mixed.Temperature)))).Eval(eval);
stream.Liquid.SpecificEnthalpy.ValueInSI = (Sym.Par(Sym.Sum(0, NC, (idx) => stream.Liquid.ComponentMolarFraction[idx] * stream.System.EquationFactory.GetLiquidEnthalpyExpression(stream.System, idx, stream.Mixed.Temperature)))).Eval(eval);
if (Double.IsNaN(stream.Liquid.SpecificEnthalpy.ValueInSI))
{
stream.Liquid.SpecificEnthalpy.ValueInSI = 0;
}
if (Double.IsNaN(stream.Vapor.SpecificEnthalpy.ValueInSI))
{
stream.Vapor.SpecificEnthalpy.ValueInSI = 0;
}
stream.Mixed.SpecificEnthalpy.ValueInSI = ((stream.Vapor.TotalMolarflow * stream.Vapor.SpecificEnthalpy + stream.Liquid.TotalMolarflow * stream.Liquid.SpecificEnthalpy) / stream.Mixed.TotalMolarflow).Eval(eval);
}
Expression GetDrivingForce(MaterialStream stream)
{
Expression drivingForce = 1;
switch (Type)
{
case ReactionType.EQLA:
{
foreach (var stoic in Stoichiometry)
{
drivingForce *= Sym.Pow(Sym.Par(stream.Gamma[stoic.Index] * stream.Liquid.ComponentMolarFraction[stoic.Index]), stoic.StoichiometricFactor);
}
break;
}
default:
break;
}
return(drivingForce);
}
void PrecalculateZP(MaterialStream stream)
{
stream.Mixed.TotalMolarflow.ValueInSI = stream.Mixed.ComponentMolarflow.Sum(v => v.ValueInSI);
var NC = stream.System.Components.Count;
for (int i = 0; i < NC; i++)
{
stream.Mixed.ComponentMolarFraction[i].ValueInSI = stream.Mixed.ComponentMolarflow[i].ValueInSI / stream.Mixed.TotalMolarflow.ValueInSI;
stream.Liquid.ComponentMolarFraction[i].ValueInSI = stream.Mixed.ComponentMolarFraction[i].ValueInSI;
stream.Vapor.ComponentMolarFraction[i].ValueInSI = stream.Mixed.ComponentMolarFraction[i].ValueInSI;
}
var rachfordRice = Sym.Sum(0, NC, i => stream.Mixed.ComponentMolarFraction[i] * (1 - stream.KValues[i]) / (1 + stream.Vfmolar * (stream.KValues[i] - 1)));
var rachfordRiceEq = rachfordRice.IsEqualTo(0);
var problem2 = new EquationSystem()
{
Name = "Rachford-Rice"
};
if (stream.Vfmolar.ValueInSI <= 1e-10)
{
problem2.AddConstraints(Sym.Sum(0, NC, i => stream.Mixed.ComponentMolarFraction[i] * stream.KValues[i]).IsEqualTo(1));
}
else if (stream.Vfmolar.ValueInSI >= 1 - 1e-10)
{
problem2.AddConstraints(Sym.Sum(0, NC, i => stream.Mixed.ComponentMolarFraction[i] / stream.KValues[i]).IsEqualTo(1));
}
else
{
problem2.AddConstraints(rachfordRiceEq);
}
problem2.AddVariables(stream.Mixed.Temperature);
_solver.Solve(problem2);
performMassBalance(stream, stream.KValues);
performDensityUpdate(stream);
performEnthalpyUpdate(stream);
}
void PrecalculateTP(MaterialStream stream)
{
stream.Mixed.TotalMolarflow.ValueInSI = stream.Mixed.ComponentMolarflow.Sum(v => v.ValueInSI);
var NC = stream.System.Components.Count;
for (int i = 0; i < NC; i++)
{
stream.Mixed.ComponentMolarFraction[i].ValueInSI = stream.Mixed.ComponentMolarflow[i].ValueInSI / stream.Mixed.TotalMolarflow.ValueInSI;
stream.Liquid.ComponentMolarFraction[i].ValueInSI = stream.Mixed.ComponentMolarFraction[i].ValueInSI;
stream.Vapor.ComponentMolarFraction[i].ValueInSI = stream.Mixed.ComponentMolarFraction[i].ValueInSI;
}
//Solving Rachford Rice equation to get actual vapour fraction
var x = stream.Mixed.ComponentMolarFraction;
var K = stream.KValues;
var a = stream.Vfmolar;
var rachfordRice = Sym.Sum(0, NC, i => x[i] * (1 - K[i]) / (1 + a * (K[i] - 1)));
//Evaluate Rachford-Rice at the edge cases of the VLE area
stream.Vfmolar.ValueInSI = 0;
var rrAt0 = rachfordRice.Eval(new Evaluator());
stream.Vfmolar.ValueInSI = 1;
var rrAt1 = rachfordRice.Eval(new Evaluator());
stream.Vfmolar.ValueInSI = 0.5;
if (rrAt0 > 0)
{
stream.Vfmolar.ValueInSI = 0;
}
else if (Math.Abs(rrAt0) < 1e-8)
{
stream.Vfmolar.ValueInSI = 0;
}
else if (Math.Abs(rrAt1) < 1e-8)
{
stream.Vfmolar.ValueInSI = 1;
}
else if (rrAt1 < 0)
{
stream.Vfmolar.ValueInSI = 1;
}
if (stream.Vfmolar.ValueInSI == 0.5 || (rrAt0 == 0 && rrAt1 == 0))
{
for (int i = 0; i < NC; i++)
{
stream.Liquid.ComponentMolarFraction[i].ValueInSI = 0.95 * stream.Mixed.ComponentMolarFraction[i].ValueInSI;
stream.Vapor.ComponentMolarFraction[i].ValueInSI = 1.05 * stream.Mixed.ComponentMolarFraction[i].ValueInSI;
}
stream.Vfmolar.ValueInSI = 0.5;
var problem2 = new EquationSystem()
{
Name = "Rachford-Rice"
};
stream.Vfmolar.LowerBound = -5;
stream.Vfmolar.UpperBound = 5;
problem2.AddConstraints(rachfordRice.IsEqualTo(0));
problem2.AddVariables(stream.Vfmolar);
_solver.Solve(problem2);
}
if (Double.IsNaN(stream.Vfmolar.ValueInSI))
{
stream.Vfmolar.ValueInSI = 0;
}
stream.Vfmolar.LowerBound = 0;
stream.Vfmolar.UpperBound = 1;
if (stream.Vfmolar.ValueInSI > 1)
{
stream.Vfmolar.ValueInSI = 1;
}
if (stream.Vfmolar.ValueInSI < 0)
{
stream.Vfmolar.ValueInSI = 0;
}
performMassBalance(stream, stream.KValues);
performDensityUpdate(stream);
performEnthalpyUpdate(stream);
}
Dictionary <string, Compound> GenerateCompounds(IUnitsOfMeasure su)
{
//generate pseudos from number or temperature cuts
int i = 0;
int method = pseudomode;
double[] tbp2 = null;
double[] tbpx = null;
var fittedt = new List <double>();
double[] coeff;
object[] obj = null;
double Tmin, Tmax;
//generate polynomial from input data
if (tbpcurvetype == 0)
{
//tbp
tbp2 = tbp.ToArray();
tbpx = cb.ToArray();
}
else if (tbpcurvetype == 1)
{
//d86
double T0 = 0;
double T10 = 0;
double T30 = 0;
double T50 = 0;
double T70 = 0;
double T90 = 0;
double T100 = 0;
//interpolate to obtain points
double[] w = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(cb.ToArray(), cb.Count, 1, ref w);
T0 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.0d);
T10 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.1d);
T30 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.3d);
T50 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.5d);
T70 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.7d);
T90 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.9d);
T100 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 1.0d);
//tbp
tbp2 = DistillationCurveConversion.ASTMD86ToPEV_Riazi(new double[] { T0, T10, T30, T50, T70, T90, T100 });
tbpx = new double[] { 1E-06, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0 };
}
else if (tbpcurvetype == 2)
{
//vacuum
double T0 = 0;
double T10 = 0;
double T30 = 0;
double T50 = 0;
double T70 = 0;
double T90 = 0;
double T100 = 0;
//interpolate to obtain points
double[] w = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(cb.ToArray(), cb.Count, 1, ref w);
T0 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0);
T10 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.1);
T30 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.3);
T50 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.5);
T70 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.7);
T90 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.9);
T100 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 1.0);
//tbp
tbp2 = DistillationCurveConversion.ASTMD1160ToPEVsub_Wauquier(new double[] { T0, T10, T30, T50, T70, T90, T100 });
double K = 12.0;
tbp2[0] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[0], 1333, K);
tbp2[1] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[1], 1333, K);
tbp[22] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[2], 1333, K);
tbp2[3] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[3], 1333, K);
tbp2[4] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[4], 1333, K);
tbp2[5] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[5], 1333, K);
tbp2[6] = DistillationCurveConversion.PEVsubToPEV_MaxwellBonnel(tbp2[6], 1333, K);
tbpx = new double[] { 1E-06, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0 };
}
else if (tbpcurvetype == 3)
{
//simulated
double T5 = 0;
double T10 = 0;
double T30 = 0;
double T50 = 0;
double T70 = 0;
double T90 = 0;
double T95 = 0;
double T100 = 0;
//interpolate to obtain points
double[] w = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(cb.ToArray(), cb.Count, 1, ref w);
T5 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.05);
T10 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.1);
T30 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.3);
T50 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.5);
T70 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.7);
T90 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.9);
T95 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 0.95);
T100 = polinterpolation.barycentricinterpolation(cb.ToArray(), tbp.ToArray(), w, cb.Count, 1.0);
//tbp
tbp2 = DistillationCurveConversion.ASTMD2887ToPEV_Daubert(new double[] { T5, T10, T30, T50, T70, T90, T95, T100 });
tbpx = new double[] { 0.05, 0.1, 0.3, 0.5, 0.7, 0.9, 0.95, 1.0 };
}
Tmin = tbp2.Min();
Tmax = tbp2.Max();
//y = 10358x5 - 15934x4 + 11822x3 - 4720,2x2 + 1398,2x + 269,23
//R² = 1
double[] inest = new double[7];
if (tbpcurvetype == 1)
{
double[] w2 = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(tbpx, tbpx.Length, 1, ref w2);
inest[0] = polinterpolation.barycentricinterpolation(tbpx, tbp2, w2, tbpx.Length, 0);
}
else
{
inest[0] = Tmin;
}
inest[1] = 1398;
inest[2] = 4720;
inest[3] = 11821;
inest[4] = 15933;
inest[5] = 10358;
inest[6] = -3000;
DistillationCurveConversion.TBPFit lmfit = new DistillationCurveConversion.TBPFit();
obj = (object[])lmfit.GetCoeffs(tbpx, tbp2, inest, 1E-10, 1E-08, 1E-08, 1000);
coeff = (double[])obj[0];
//TBP(K) = aa + bb*fv + cc*fv^2 + dd*fv^3 + ee*fv^4 + ff*fv^5 (fv 0 ~ 1)
fittedt.Clear();
for (i = 0; i <= tbp2.Length - 1; i++)
{
fittedt.Add(cv.ConvertFromSI(su.temperature, coeff[0] + coeff[1] * tbpx[i] + coeff[2] * Math.Pow(tbpx[i], 2) + coeff[3] * Math.Pow(tbpx[i], 3) + coeff[4] * Math.Pow(tbpx[i], 4) + coeff[5] * Math.Pow(tbpx[i], 5) + coeff[6] * Math.Pow(tbpx[i], 6)));
}
//create pseudos
if (method == 0)
{
int np = Convert.ToInt32(pseudocuts);
double deltaT = (Tmax - Tmin) / (np);
double t0 = 0;
double fv0 = 0;
t0 = Tmin;
fv0 = tbpx.Min();
tccol.Clear();
for (i = 0; i <= np - 1; i++)
{
tmpcomp tc = new tmpcomp();
tc.tbp0 = t0;
tc.tbpf = t0 + deltaT;
tc.fv0 = GetFV(coeff, fv0, tc.tbp0);
tc.fvf = GetFV(coeff, fv0, tc.tbpf);
tc.fvm = tc.fv0 + (tc.fvf - tc.fv0) / 2;
tc.tbpm = GetT(coeff, tc.fvm);
tccol.Add(tc);
t0 = t0 + deltaT;
fv0 = tc.fvf;
}
}
else
{
int np = cuttemps.Count + 1;
double t0 = 0;
double fv0 = 0;
t0 = Tmin;
fv0 = tbpx.Min();
tccol.Clear();
for (i = 0; i <= np - 1; i++)
{
tmpcomp tc = new tmpcomp();
tc.tbp0 = t0;
if (i == np - 1)
{
tc.tbpf = Tmax;
}
else
{
tc.tbpf = cv.ConvertToSI(su.temperature, cuttemps[i]);
}
tc.fv0 = GetFV(coeff, fv0, tc.tbp0);
tc.fvf = GetFV(coeff, fv0, tc.tbpf);
tc.fvm = tc.fv0 + (tc.fvf - tc.fv0) / 2;
tc.tbpm = GetT(coeff, tc.fvm);
tccol.Add(tc);
fv0 = tc.fvf;
if (i < np - 1)
{
t0 = cv.ConvertToSI(su.temperature, cuttemps[i]);
}
}
}
DWSIM.Thermodynamics.Utilities.PetroleumCharacterization.Methods.GL methods2 = new DWSIM.Thermodynamics.Utilities.PetroleumCharacterization.Methods.GL();
Dictionary <string, Compound> ccol = new Dictionary <string, Compound>();
i = 0;
foreach (tmpcomp tc in tccol)
{
ConstantProperties cprops = new ConstantProperties();
cprops.NBP = tc.tbpm;
cprops.OriginalDB = "Petroleum Assay: " + assayname;
cprops.CurrentDB = "Petroleum Assay: " + assayname;
cprops.Name = assayname + "_" + (i + 1).ToString();
//SG
if (!hassgc)
{
if (Math.Abs(cprops.PF_MM.GetValueOrDefault()) < 1e-10)
{
cprops.PF_MM = Math.Pow((1 / 0.01964 * (6.97996 - Math.Log(1080 - cprops.NBP.GetValueOrDefault()))), (3 / 2));
}
cprops.PF_SG = PropertyMethods.d15_Riazi(cprops.PF_MM.GetValueOrDefault());
}
else
{
double[] w = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(this.cb.ToArray(), cb.Count, 1, ref w);
cprops.PF_SG = polinterpolation.barycentricinterpolation(cb.ToArray(), sgc.ToArray(), w, cb.Count(), tc.fvm);
}
//MW
if (!hasmwc)
{
switch (type)
{
case SampleType.Light:
cprops.PF_MM = PropertyMethods.MW_Winn(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
case SampleType.Average:
cprops.PF_MM = PropertyMethods.MW_Riazi(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
case SampleType.Heavy:
cprops.PF_MM = PropertyMethods.MW_LeeKesler(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
}
}
else
{
double[] w = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(this.cb.ToArray(), cb.Count(), 1, ref w);
cprops.PF_MM = polinterpolation.barycentricinterpolation(this.cb.ToArray(), mwc.ToArray(), w, cb.Count(), tc.fvm);
}
cprops.Molar_Weight = cprops.PF_MM.GetValueOrDefault();
i += 1;
Compound subst = new Compound(cprops.Name, "");
subst.ConstantProperties = cprops;
subst.Name = cprops.Name;
subst.PetroleumFraction = true;
ccol.Add(cprops.Name, subst);
}
CalculateMolarFractions(ccol);
if (mwb > 1E-10)
{
double mixtMW = 0;
foreach (var c in ccol.Values)
{
mixtMW += c.MoleFraction.GetValueOrDefault() * c.ConstantProperties.Molar_Weight;
}
double facm = mwb / mixtMW;
foreach (var c in ccol.Values)
{
c.ConstantProperties.Molar_Weight *= facm;
}
}
if (sgb > 1E-10)
{
double mixtD = 0;
foreach (var c in ccol.Values)
{
mixtD += c.MassFraction.GetValueOrDefault() * c.ConstantProperties.PF_SG.GetValueOrDefault();
}
double facd = 141.5 / (131.5 + sgb) / mixtD;
foreach (var c in ccol.Values)
{
c.ConstantProperties.PF_SG *= facd;
}
}
i = 0;
foreach (var subst in ccol.Values)
{
ConstantProperties cprops = (ConstantProperties)subst.ConstantProperties;
tmpcomp tc = tccol[i];
//VISC
if (!hasvisc100c)
{
cprops.PF_Tv1 = 311;
cprops.PF_Tv2 = 372;
cprops.PF_v1 = PropertyMethods.Visc37_Abbott(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
cprops.PF_v2 = PropertyMethods.Visc98_Abbott(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
}
else
{
double[] w = null;
ratinterpolation.buildfloaterhormannrationalinterpolant(cb.ToArray(), visc100.Count, 1, ref w);
cprops.PF_v1 = polinterpolation.barycentricinterpolation(cb.ToArray(), visc100.ToArray(), w, cb.Count, tc.fvm);
ratinterpolation.buildfloaterhormannrationalinterpolant(cb.ToArray(), visc210.Count, 1, ref w);
cprops.PF_v2 = polinterpolation.barycentricinterpolation(cb.ToArray(), visc210.ToArray(), w, cb.Count, tc.fvm);
cprops.PF_Tv1 = (100 - 32) / 9 * 5 + 273.15;
cprops.PF_Tv2 = (210 - 32) / 9 * 5 + 273.15;
}
cprops.PF_vA = PropertyMethods.ViscWaltherASTM_A(cprops.PF_Tv1.GetValueOrDefault(), cprops.PF_v1.GetValueOrDefault(), cprops.PF_Tv2.GetValueOrDefault(), cprops.PF_v2.GetValueOrDefault());
cprops.PF_vB = PropertyMethods.ViscWaltherASTM_B(cprops.PF_Tv1.GetValueOrDefault(), cprops.PF_v1.GetValueOrDefault(), cprops.PF_Tv2.GetValueOrDefault(), cprops.PF_v2.GetValueOrDefault());
//Tc
switch (type)
{
case SampleType.Light:
cprops.Critical_Temperature = PropertyMethods.Tc_RiaziDaubert(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
case SampleType.Average:
cprops.Critical_Temperature = PropertyMethods.Tc_LeeKesler(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
case SampleType.Heavy:
cprops.Critical_Temperature = PropertyMethods.Tc_Farah(cprops.PF_vA.GetValueOrDefault(), cprops.PF_vB.GetValueOrDefault(), cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
}
//Pc
switch (type)
{
case SampleType.Light:
cprops.Critical_Pressure = PropertyMethods.Pc_RiaziDaubert(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
case SampleType.Average:
cprops.Critical_Pressure = PropertyMethods.Pc_LeeKesler(cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
case SampleType.Heavy:
cprops.Critical_Pressure = PropertyMethods.Pc_Farah(cprops.PF_vA.GetValueOrDefault(), cprops.PF_vB.GetValueOrDefault(), cprops.NBP.GetValueOrDefault(), cprops.PF_SG.GetValueOrDefault());
break;
}
//Af
switch (type)
{
case SampleType.Heavy:
cprops.Acentric_Factor = PropertyMethods.AcentricFactor_LeeKesler(cprops.Critical_Temperature, cprops.Critical_Pressure, cprops.NBP.GetValueOrDefault());
break;
case SampleType.Light:
case SampleType.Average:
cprops.Acentric_Factor = PropertyMethods.AcentricFactor_Korsten(cprops.Critical_Temperature, cprops.Critical_Pressure, cprops.NBP.GetValueOrDefault());
break;
}
cprops.Normal_Boiling_Point = cprops.NBP.GetValueOrDefault();
cprops.IsPF = 1;
cprops.PF_Watson_K = Math.Pow((1.8 * cprops.NBP.GetValueOrDefault()), (1 / 3)) / cprops.PF_SG.GetValueOrDefault();
var tmp = (object[])methods2.calculate_Hf_Sf(cprops.PF_SG.GetValueOrDefault(), cprops.Molar_Weight, cprops.NBP.GetValueOrDefault());
cprops.IG_Enthalpy_of_Formation_25C = (double)tmp[0];
cprops.IG_Entropy_of_Formation_25C = (double)tmp[1];
cprops.IG_Gibbs_Energy_of_Formation_25C = (double)tmp[0] - 298.15 * (double)tmp[1];
DWSIM.Thermodynamics.Utilities.Hypos.Methods.HYP methods = new DWSIM.Thermodynamics.Utilities.Hypos.Methods.HYP();
cprops.HVap_A = methods.DHvb_Vetere(cprops.Critical_Temperature, cprops.Critical_Pressure, cprops.Normal_Boiling_Point) / cprops.Molar_Weight;
cprops.Critical_Compressibility = DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.Zc1(cprops.Acentric_Factor);
cprops.Critical_Volume = 8314 * cprops.Critical_Compressibility * cprops.Critical_Temperature / cprops.Critical_Pressure;
cprops.Z_Rackett = DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.Zc1(cprops.Acentric_Factor);
if (cprops.Z_Rackett < 0)
{
cprops.Z_Rackett = 0.2;
}
cprops.Chao_Seader_Acentricity = cprops.Acentric_Factor;
cprops.Chao_Seader_Solubility_Parameter = Math.Pow(((cprops.HVap_A * cprops.Molar_Weight - 8.314 * cprops.Normal_Boiling_Point) * 238.846 * DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.liq_dens_rackett(cprops.Normal_Boiling_Point, cprops.Critical_Temperature, cprops.Critical_Pressure, cprops.Acentric_Factor, cprops.Molar_Weight) / cprops.Molar_Weight / 1000000.0), 0.5);
cprops.Chao_Seader_Liquid_Molar_Volume = 1 / DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.liq_dens_rackett(cprops.Normal_Boiling_Point, cprops.Critical_Temperature, cprops.Critical_Pressure, cprops.Acentric_Factor, cprops.Molar_Weight) * cprops.Molar_Weight / 1000 * 1000000.0;
methods = null;
cprops.ID = 30000 + i + 1;
i += 1;
}
//Adjust Acentric Factors and Rackett parameters to fit NBP and Density
DensityFitting dfit = new DensityFitting();
PRVSFitting prvsfit = new PRVSFitting();
SRKVSFitting srkvsfit = new SRKVSFitting();
NBPFitting nbpfit = new NBPFitting();
MaterialStream tms = new MaterialStream("", "");
PropertyPackage pp = default(PropertyPackage);
double fzra = 0;
double fw = 0;
double fprvs = 0;
double fsrkvs = 0;
if (flowsheet.PropertyPackages.Count > 0)
{
pp = (DWSIM.Thermodynamics.PropertyPackages.PropertyPackage)flowsheet.PropertyPackages.Values.First();
}
else
{
pp = new PengRobinsonPropertyPackage();
}
foreach (var c in ccol.Values)
{
tms.Phases[0].Compounds.Add(c.Name, c);
}
bool recalcVc = false;
i = 0;
foreach (var c in ccol.Values)
{
var _with4 = nbpfit;
_with4._pp = pp;
_with4._ms = tms;
_with4._idx = i;
try
{
fw = _with4.MinimizeError();
}
catch (Exception ex)
{
flowsheet.ShowMessage("Error fitting Acentric Factor for compound '" + c.Name + "': " + ex.Message, IFlowsheet.MessageType.GeneralError);
}
var _with5 = c.ConstantProperties;
c.ConstantProperties.Acentric_Factor *= fw;
c.ConstantProperties.Z_Rackett = DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.Zc1(c.ConstantProperties.Acentric_Factor);
if (_with5.Z_Rackett < 0)
{
_with5.Z_Rackett = 0.2;
recalcVc = true;
}
_with5.Critical_Compressibility = DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.Zc1(_with5.Acentric_Factor);
_with5.Critical_Volume = DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.Vc(_with5.Critical_Temperature, _with5.Critical_Pressure, _with5.Acentric_Factor, _with5.Critical_Compressibility);
var _with6 = dfit;
_with6._comp = c;
try
{
fzra = _with6.MinimizeError();
}
catch (Exception ex)
{
flowsheet.ShowMessage("Error fitting Rackett Parameter for compound '" + c.Name + "': " + ex.Message, IFlowsheet.MessageType.GeneralError);
}
var _with7 = c.ConstantProperties;
_with7.Z_Rackett *= fzra;
if (_with7.Critical_Compressibility < 0 | recalcVc)
{
_with7.Critical_Compressibility = _with7.Z_Rackett;
_with7.Critical_Volume = DWSIM.Thermodynamics.PropertyPackages.Auxiliary.PROPS.Vc(_with7.Critical_Temperature, _with7.Critical_Pressure, _with7.Acentric_Factor, _with7.Critical_Compressibility);
}
c.ConstantProperties.PR_Volume_Translation_Coefficient = 1;
prvsfit._comp = c;
fprvs = prvsfit.MinimizeError();
var _with8 = c.ConstantProperties;
if (Math.Abs(fprvs) < 99.0)
{
_with8.PR_Volume_Translation_Coefficient *= fprvs;
}
else
{
_with8.PR_Volume_Translation_Coefficient = 0.0;
}
c.ConstantProperties.SRK_Volume_Translation_Coefficient = 1;
srkvsfit._comp = c;
fsrkvs = srkvsfit.MinimizeError();
var _with9 = c.ConstantProperties;
if (Math.Abs(fsrkvs) < 99.0)
{
_with9.SRK_Volume_Translation_Coefficient *= fsrkvs;
}
else
{
_with9.SRK_Volume_Translation_Coefficient = 0.0;
}
recalcVc = false;
i += 1;
}
pp = null;
dfit = null;
nbpfit = null;
tms = null;
return(ccol);
}
string WriteStreamReport(MaterialStream stream)
{
StringBuilder sb = new StringBuilder();
sb.AppendLine("Material Stream: " + stream.Name);
sb.AppendLine();
sb.AppendLine(stream.Vfmolar.WriteReport());
sb.AppendLine(stream.Mixed.Temperature.WriteReport());
sb.AppendLine(stream.Mixed.Pressure.WriteReport());
sb.AppendLine(stream.Mixed.SpecificEnthalpy.WriteReport());
sb.AppendLine(stream.Mixed.TotalEnthalpy.WriteReport());
//sb.AppendLine(stream.Mixed.TotalMolarflow.WriteReport());
//sb.AppendLine(stream.Mixed.TotalMassflow.WriteReport());
sb.AppendLine(stream.Mixed.TotalVolumeflow.WriteReport());
sb.AppendLine(String.Format("{0,-25} = {1, 12}", "Phase", stream.State));
sb.AppendLine("");
sb.AppendLine("Mixed");
sb.Append(String.Format("{0,-12}", "Component"));
sb.Append(String.Format("{0,15}", "Mole Flow"));
sb.Append(String.Format("{0,15}", "Mole Fraction"));
sb.Append(String.Format("{0,15}", "Mass Flow"));
sb.AppendLine(String.Format("{0,15}", "Mass Fraction"));
sb.Append(String.Format("{0,-12}", ""));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MolarFlow].Symbol));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MolarFraction].Symbol));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MassFlow].Symbol));
sb.AppendLine(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MassFraction].Symbol));
for (int i = 0; i < stream.Mixed.ComponentMassflow.Count; i++)
{
if (stream.Mixed.ComponentMolarflow[i].ValueInOutputUnit < 1e-10)
{
continue;
}
sb.Append(String.Format(" {0,-10}", stream.System.Components[i].ID));
sb.Append(String.Format("{0,15}", stream.Mixed.ComponentMolarflow[i].ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", stream.Mixed.ComponentMolarFraction[i].ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", stream.Mixed.ComponentMassflow[i].ValueInOutputUnit.ToString("0.0000")));
sb.AppendLine(String.Format("{0,15}", stream.Mixed.ComponentMassFraction[i].ValueInOutputUnit.ToString("0.0000")));
}
sb.Append(String.Format(" {0,-10}", "Sum"));
sb.Append(String.Format("{0,15}", stream.Mixed.TotalMolarflow.ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", ""));
sb.AppendLine(String.Format("{0,15}", stream.Mixed.TotalMassflow.ValueInOutputUnit.ToString("0.0000")));
if (stream.Vapor.TotalMolarflow.ValueInSI > 1e-6)
{
sb.AppendLine("");
sb.AppendLine("Vapor");
sb.Append(String.Format("{0,-12}", "Component"));
sb.Append(String.Format("{0,15}", "Mole Flow"));
sb.Append(String.Format("{0,15}", "Mole Fraction"));
sb.Append(String.Format("{0,15}", "Mass Flow"));
sb.AppendLine(String.Format("{0,15}", "Mass Fraction"));
sb.Append(String.Format("{0,-12}", ""));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MolarFlow].Symbol));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MolarFraction].Symbol));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MassFlow].Symbol));
sb.AppendLine(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MassFraction].Symbol));
for (int i = 0; i < stream.Mixed.ComponentMassflow.Count; i++)
{
if (stream.Vapor.ComponentMolarflow[i].ValueInOutputUnit < 1e-10)
{
continue;
}
sb.Append(String.Format(" {0,-10}", stream.System.Components[i].ID));
sb.Append(String.Format("{0,15}", stream.Vapor.ComponentMolarflow[i].ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", stream.Vapor.ComponentMolarFraction[i].ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", stream.Vapor.ComponentMassflow[i].ValueInOutputUnit.ToString("0.0000")));
sb.AppendLine(String.Format("{0,15}", stream.Vapor.ComponentMassFraction[i].ValueInOutputUnit.ToString("0.0000")));
}
sb.Append(String.Format(" {0,-10}", "Sum"));
sb.Append(String.Format("{0,15}", stream.Vapor.TotalMolarflow.ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", ""));
sb.AppendLine(String.Format("{0,15}", stream.Vapor.TotalMassflow.ValueInOutputUnit.ToString("0.0000")));
}
if (stream.Liquid.TotalMolarflow.ValueInSI > 1e-6)
{
sb.AppendLine("");
sb.AppendLine("Liquid");
sb.Append(String.Format("{0,-12}", "Component"));
sb.Append(String.Format("{0,15}", "Mole Flow"));
sb.Append(String.Format("{0,15}", "Mole Fraction"));
sb.Append(String.Format("{0,15}", "Mass Flow"));
sb.AppendLine(String.Format("{0,15}", "Mass Fraction"));
sb.Append(String.Format("{0,-12}", ""));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MolarFlow].Symbol));
sb.Append(String.Format("{0,15}", "%"));
sb.Append(String.Format("{0,15}", stream.System.VariableFactory.Output.UnitDictionary[OpenFMSL.Core.UnitsOfMeasure.PhysicalDimension.MassFlow].Symbol));
sb.AppendLine(String.Format("{0,15}", "w-%"));
for (int i = 0; i < stream.Liquid.ComponentMassflow.Count; i++)
{
if (stream.Liquid.ComponentMolarflow[i].ValueInOutputUnit < 1e-10)
{
continue;
}
sb.Append(String.Format(" {0,-10}", stream.System.Components[i].ID));
sb.Append(String.Format("{0,15}", stream.Liquid.ComponentMolarflow[i].ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", stream.Liquid.ComponentMolarFraction[i].ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", stream.Liquid.ComponentMassflow[i].ValueInOutputUnit.ToString("0.0000")));
sb.AppendLine(String.Format("{0,15}", stream.Liquid.ComponentMassFraction[i].ValueInOutputUnit.ToString("0.0000")));
}
sb.Append(String.Format(" {0,-10}", "Sum"));
sb.Append(String.Format("{0,15}", stream.Liquid.TotalMolarflow.ValueInOutputUnit.ToString("0.0000")));
sb.Append(String.Format("{0,15}", ""));
sb.AppendLine(String.Format("{0,15}", stream.Liquid.TotalMassflow.ValueInOutputUnit.ToString("0.0000")));
}
return(sb.ToString());
}
public override ProcessUnit Initialize()
{
int NC = System.Components.Count;
var In = FindMaterialPort("In");
var Vap = FindMaterialPort("VOut");
var Liq = FindMaterialPort("LOut");
var VIN = FindMaterialPort("VIn");
var LIN = FindMaterialPort("LIn");
var flash = new FlashRoutines(new Numerics.Solvers.Newton());
var flashStream = new MaterialStream("FLASH", System);
flashStream.CopyFrom(In.Streams[0]);
for (int i = 0; i < NC; i++)
{
flashStream.Mixed.ComponentMolarflow[i].ValueInSI += LIN.Streams[0].Mixed.ComponentMolarflow[i].ValueInSI + VIN.Streams[0].Mixed.ComponentMolarflow[i].ValueInSI;
}
if (p.IsFixed)
{
flashStream.Specify("p", p.ValueInSI);
}
else if (dp.IsFixed)
{
flashStream.Specify("p", In.Streams[0].Mixed.Pressure.ValueInSI - dp.ValueInSI);
}
flashStream.Specify("T", In.Streams[0].Mixed.Temperature.ValueInSI);
flash.CalculateTP(flashStream);
var eval = new Evaluator();
for (int i = 0; i < NC; i++)
{
Vap.Streams[0].Mixed.ComponentMolarflow[i].ValueInSI = (flashStream.Vapor.ComponentMolarflow[i]).Eval(eval);
Liq.Streams[0].Mixed.ComponentMolarflow[i].ValueInSI = (flashStream.Liquid.ComponentMolarflow[i]).Eval(eval);
}
if (T.IsFixed)
{
Vap.Streams[0].Mixed.Temperature.ValueInSI = T.ValueInSI;
Liq.Streams[0].Mixed.Temperature.ValueInSI = T.ValueInSI;
}
else
{
Vap.Streams[0].Mixed.Temperature.ValueInSI = flashStream.Mixed.Temperature.ValueInSI;
Liq.Streams[0].Mixed.Temperature.ValueInSI = flashStream.Mixed.Temperature.ValueInSI;
T.ValueInSI = flashStream.Mixed.Temperature.ValueInSI;
}
if (p.IsFixed)
{
Vap.Streams[0].Mixed.Pressure.ValueInSI = p.ValueInSI;
Liq.Streams[0].Mixed.Pressure.ValueInSI = p.ValueInSI;
}
else
{
Vap.Streams[0].Mixed.Pressure.ValueInSI = flashStream.Mixed.Pressure.ValueInSI;
Liq.Streams[0].Mixed.Pressure.ValueInSI = flashStream.Mixed.Pressure.ValueInSI;
p.ValueInSI = flashStream.Mixed.Pressure.ValueInSI;
}
if (!Q.IsFixed)
{
Q.ValueInSI = -(In.Streams[0].Mixed.SpecificEnthalpy * In.Streams[0].Mixed.TotalMolarflow - Liq.Streams[0].Mixed.SpecificEnthalpy * Liq.Streams[0].Mixed.TotalMolarflow - Vap.Streams[0].Mixed.SpecificEnthalpy * Vap.Streams[0].Mixed.TotalMolarflow).Eval(eval);
}
Vap.Streams[0].GetVariable("VF").SetValue(1);
Liq.Streams[0].GetVariable("VF").SetValue(0);
flash.CalculateTP(Vap.Streams[0]);
flash.CalculateTP(Liq.Streams[0]);
Vap.Streams[0].State = PhaseState.DewPoint;
Liq.Streams[0].State = PhaseState.BubblePoint;
return(this);
}
void Init()
{
Padding = new Padding(10);
mw0 = 80.0f;
sg0 = 0.70f;
nbp0 = 333.0f;
t1 = 38 + 273.15;
t2 = 98.9 + 273.15;
assayname = "OIL";
v1 = 0;
v2 = 0;
var su = flowsheet.FlowsheetOptions.SelectedUnitSystem;
var nf = flowsheet.FlowsheetOptions.NumberFormat;
s.CreateAndAddLabelRow(this, "Assay Identification");
s.CreateAndAddStringEditorRow(this, "Assay Name", assayname, (arg3, arg2) =>
{
assayname = arg3.Text;
});
s.CreateAndAddDescriptionRow(this, "Enter the name of the assay. It will be used to identify the Material Stream on the flowsheet and the associated compounds as well.");
s.CreateAndAddLabelRow(this, "Property Methods");
s.CreateAndAddDescriptionRow(this, "Select the methods to calculate compound properties.");
s.CreateAndAddDropDownRow(this, "Molecular Weight", new List <string>()
{
"Winn (1956)", "Riazi (1986)", "Lee-Kesler (1974)"
}, 0, (arg3, arg2) =>
{
MWcorr = arg3.SelectedValue.ToString();
});
s.CreateAndAddDropDownRow(this, "Critical Temperature", new List <string>()
{
"Riazi-Daubert (1985)", "Riazi (2005)", "Lee-Kesler (1976)", "Farah (2006)"
}, 0, (arg3, arg2) =>
{
Tccorr = arg3.SelectedValue.ToString();
});
s.CreateAndAddDropDownRow(this, "Critical Pressure", new List <string>()
{
"Riazi-Daubert (1985)", "Lee-Kesler (1976)", "Farah (2006)"
}, 0, (arg3, arg2) =>
{
Pccorr = arg3.SelectedValue.ToString();
});
s.CreateAndAddDropDownRow(this, "Acentric Factor", new List <string>()
{
"Lee-Kesler (1976)", "Korsten (2000)"
}, 0, (arg3, arg2) =>
{
AFcorr = arg3.SelectedValue.ToString();
});
s.CreateAndAddCheckBoxRow(this, "Adjust Acentric Factors to match Normal Boiling Temperatures", adjustAf, (arg1, arg2) =>
{
adjustAf = arg1.Checked.GetValueOrDefault();
}, null);
s.CreateAndAddCheckBoxRow(this, "Adjust Rackett Parameters to match Specific Gravities", adjustZR, (arg1, arg2) =>
{
adjustZR = arg1.Checked.GetValueOrDefault();
}, null);
s.CreateAndAddLabelRow(this, "Assay Properties");
s.CreateAndAddDescriptionRow(this, "Define at least one of the following three properties in order to calculate a property distribution.");
s.CreateAndAddTextBoxRow(this, nf, "Molar Weight", mw.GetValueOrDefault(), (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
mw = Double.Parse(arg3.Text);
}
});
s.CreateAndAddDescriptionRow(this, "Leave it unchanged if not available.");
s.CreateAndAddTextBoxRow(this, nf, "Specific Gravity", sg.GetValueOrDefault(), (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
sg = Double.Parse(arg3.Text);
}
});
s.CreateAndAddDescriptionRow(this, "Leave it unchanged if not available.");
s.CreateAndAddTextBoxRow(this, nf, "Average NBP (" + su.temperature + ")", cv.ConvertFromSI(su.temperature, nbp.GetValueOrDefault()), (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
nbp = cv.ConvertToSI(su.temperature, Double.Parse(arg3.Text));
}
});
s.CreateAndAddDescriptionRow(this, "Leave it unchanged if not available.");
s.CreateAndAddLabelRow(this, "Initial Values for Property Distribution");
s.CreateAndAddTextBoxRow(this, nf, "Molar Weight", mw0, (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
mw0 = Double.Parse(arg3.Text);
}
});
s.CreateAndAddDescriptionRow(this, "This defines the Molar Weight of the lightest compound in the assay.");
s.CreateAndAddTextBoxRow(this, nf, "Specific Gravity", sg0, (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
sg0 = Double.Parse(arg3.Text);
}
});
s.CreateAndAddDescriptionRow(this, "This defines the Specific Gravity of the lightest compound in the assay.");
s.CreateAndAddTextBoxRow(this, nf, "Normal Boiling Point (" + su.temperature + ")", cv.ConvertFromSI(su.temperature, nbp0), (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
nbp0 = cv.ConvertToSI(su.temperature, Double.Parse(arg3.Text));
}
});
s.CreateAndAddDescriptionRow(this, "This defines the Normal Boiling Point of the lightest compound in the assay.");
s.CreateAndAddLabelRow(this, "Pseudo Compounds");
s.CreateAndAddTextBoxRow(this, "N0", "Number of Compounds", ncomps, (arg3, arg2) =>
{
if (s.IsValidDouble(arg3.Text))
{
ncomps = int.Parse(arg3.Text);
}
});
s.CreateAndAddDescriptionRow(this, "Specify the number of compounds to be generated that, together, will represent the assay. The generated compounds will be added to the simulation and a Material Stream will be created with distribution-defined amounts of these compounds.");
s.CreateAndAddButtonRow(this, "Characterize Assay and Create Compounds", null, (arg3, arg2) =>
{
var dialog = ProgressDialog.Show(this, "Petroleum C7+ Characterization", "Generating compounds, please wait...", false);
var comps = new Dictionary <string, ICompound>();
Task.Factory.StartNew(() =>
{
comps = new GenerateCompounds().GenerateCompounds(assayname, ncomps, Tccorr, Pccorr, AFcorr, MWcorr, adjustAf, adjustZR, mw, sg, nbp, v1, v2, t1, t2, mw0, sg0, nbp0);
}).ContinueWith((t) =>
{
Application.Instance.Invoke(() => { dialog.Close(); });
if (t.Exception == null)
{
var assay = new DWSIM.SharedClasses.Utilities.PetroleumCharacterization.Assay.Assay(mw.GetValueOrDefault(), sg.GetValueOrDefault(), nbp.GetValueOrDefault(), t1, t2, v1, v2);
var ms2 = new MaterialStream("", "");
ms2.SetFlowsheet(flowsheet);
if (flowsheet.PropertyPackages.Count > 0)
{
ms2.SetPropertyPackage(flowsheet.PropertyPackages.Values.First());
}
else
{
ms2.SetPropertyPackage(new Thermodynamics.PropertyPackages.PengRobinsonPropertyPackage());
}
foreach (var subst in comps.Values)
{
ms2.Phases[0].Compounds.Add(subst.Name, subst);
ms2.Phases[1].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
ms2.Phases[2].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
ms2.Phases[3].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
ms2.Phases[4].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
ms2.Phases[5].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
ms2.Phases[6].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
ms2.Phases[7].Compounds.Add(subst.Name, new Compound(subst.Name, "")
{
ConstantProperties = subst.ConstantProperties
});
}
var qc = new Thermodynamics.QualityCheck(assay, ms2);
qc.DoQualityCheck();
Application.Instance.Invoke(() =>
{
qc.DisplayForm((c) =>
{
Application.Instance.Invoke(() =>
{
var form = s.GetDefaultEditorForm("Compound Properties: " + c.Name, 800, 600, new CompoundViewer((Flowsheet)flowsheet, c), false);
form.Show();
});
}, () =>
{
foreach (var comp in comps.Values)
{
if (!flowsheet.AvailableCompounds.ContainsKey(comp.Name))
{
flowsheet.AvailableCompounds.Add(comp.Name, comp.ConstantProperties);
}
flowsheet.SelectedCompounds.Add(comp.Name, flowsheet.AvailableCompounds[comp.Name]);
foreach (MaterialStream obj in flowsheet.SimulationObjects.Values.Where((x) => x.GraphicObject.ObjectType == ObjectType.MaterialStream))
{
foreach (var phase in obj.Phases.Values)
{
phase.Compounds.Add(comp.Name, new Thermodynamics.BaseClasses.Compound(comp.Name, ""));
phase.Compounds[comp.Name].ConstantProperties = flowsheet.SelectedCompounds[comp.Name];
}
}
}
var ms = (MaterialStream)flowsheet.AddObject(ObjectType.MaterialStream, 100, 100, assayname);
double wtotal = comps.Values.Select((x) => x.MoleFraction.GetValueOrDefault() * x.ConstantProperties.Molar_Weight).Sum();
foreach (var c in ms.Phases[0].Compounds.Values)
{
c.MassFraction = 0.0f;
c.MoleFraction = 0.0f;
}
foreach (var c in comps.Values)
{
c.MassFraction = c.MoleFraction.GetValueOrDefault() * c.ConstantProperties.Molar_Weight / wtotal;
ms.Phases[0].Compounds[c.Name].MassFraction = c.MassFraction.GetValueOrDefault();
ms.Phases[0].Compounds[c.Name].MoleFraction = c.MoleFraction.GetValueOrDefault();
}
Application.Instance.Invoke(() =>
{
flowsheet.UpdateInterface();
flowsheet.ShowMessage("Material Stream '" + assayname + "' added successfully. " + ncomps.ToString() + " compounds created.", IFlowsheet.MessageType.Information);
if (MessageBox.Show("Do you want to export the created compounds to a XML database?", "Petroleum C7+ Characterization", MessageBoxButtons.YesNo, MessageBoxType.Question, MessageBoxDefaultButton.Yes) == DialogResult.Yes)
{
try
{
var compstoexport = comps.Values.Select((x) => x.ConstantProperties).ToArray();
var savedialog = new SaveFileDialog();
savedialog.Title = "Save Compounds to XML Database";
savedialog.Filters.Add(new FileFilter("XML File", new[] { ".xml" }));
savedialog.CurrentFilterIndex = 0;
if (savedialog.ShowDialog(this) == DialogResult.Ok)
{
try
{
if (!File.Exists(savedialog.FileName))
{
File.WriteAllText(savedialog.FileName, "");
Thermodynamics.Databases.UserDB.CreateNew(savedialog.FileName, "compounds");
}
Thermodynamics.Databases.UserDB.AddCompounds(compstoexport, savedialog.FileName, true);
flowsheet.ShowMessage("Compounds successfully saved to XML file.", IFlowsheet.MessageType.Information);
}
catch (Exception ex)
{
flowsheet.ShowMessage("Error saving compound to JSON file: " + ex.ToString(), IFlowsheet.MessageType.GeneralError);
}
}
}
catch (Exception ex)
{
flowsheet.ShowMessage("Error saving data: " + ex.ToString(), IFlowsheet.MessageType.GeneralError);
}
}
});
});
});
}
else
{
Application.Instance.Invoke(() =>
{
flowsheet.ShowMessage("Error saving data: " + t.Exception.GetBaseException().Message, IFlowsheet.MessageType.GeneralError);
});
}
});
});
}
public bool CalculateZP(MaterialStream stream)
{
PrecalculateZP(stream);
return(true);
}
void Init()
{
Padding = new Padding(10);
var su = flowsheet.FlowsheetOptions.SelectedUnitSystem;
var nf = flowsheet.FlowsheetOptions.NumberFormat;
var complist = flowsheet.SelectedCompounds.Values.Select((x2) => x2.Name).ToList();
complist.Insert(0, "");
this.CreateAndAddLabelRow("Setup");
this.CreateAndAddDescriptionRow("The Binary Envelope utility calculates Temperature and Pressure VLE/VLLE envelopes for binary mixtures.");
var spinnerComp1 = this.CreateAndAddDropDownRow("Compound 1", complist, 0, null);
var spinnerComp2 = this.CreateAndAddDropDownRow("Compound 2", complist, 0, null);
var spinnerPE = this.CreateAndAddDropDownRow("Envelope Type", Shared.StringArrays.binaryenvelopetype().ToList(), 0, null);
var tval = this.CreateAndAddTextBoxRow(nf, "Temperature (" + su.temperature + ")", cv.ConvertFromSI(su.temperature, 298.15f), null);
var pval = this.CreateAndAddTextBoxRow(nf, "Pressure (" + su.pressure + ")", cv.ConvertFromSI(su.pressure, 101325.0f), null);
var pplist = flowsheet.PropertyPackages.Values.Select((x2) => x2.Tag).ToList();
pplist.Insert(0, "");
var spinnerpp = this.CreateAndAddDropDownRow("Property Package", pplist, 0, null);
var button = this.CreateAndAddButtonRow("Build Envelope", null, null);
var tabcontainer = new TabControl()
{
Height = 400
};
var chart = new Eto.OxyPlot.Plot {
BackgroundColor = Colors.White
};
var txtResults = new TextArea()
{
ReadOnly = true, Font = Fonts.Monospace(GlobalSettings.Settings.ResultsReportFontSize)
};
tabcontainer.Pages.Add(new TabPage(new TableRow(txtResults))
{
Text = "Data"
});
tabcontainer.Pages.Add(new TabPage(new TableRow(chart))
{
Text = "Chart"
});
this.CreateAndAddLabelRow("Results");
this.CreateAndAddControlRow(tabcontainer);
button.Click += (sender, e) =>
{
if (spinnerPE.SelectedIndex >= 0 && spinnerComp1.SelectedIndex > 0 && spinnerComp2.SelectedIndex > 0 && spinnerpp.SelectedIndex > 0)
{
var comp1 = flowsheet.SelectedCompounds[complist[spinnerComp1.SelectedIndex]];
var comp2 = flowsheet.SelectedCompounds[complist[spinnerComp2.SelectedIndex]];
var ms = new MaterialStream("", "");
ms.SetFlowsheet(flowsheet);
ms.PropertyPackage = (PropertyPackage)flowsheet.PropertyPackages.Values.Where(x => x.Tag == spinnerpp.SelectedValue.ToString()).First();
ms.SetFlowsheet(flowsheet);
foreach (var phase in ms.Phases.Values)
{
phase.Compounds.Add(comp1.Name, new DWSIM.Thermodynamics.BaseClasses.Compound(comp1.Name, ""));
phase.Compounds[comp1.Name].ConstantProperties = comp1;
phase.Compounds.Add(comp2.Name, new DWSIM.Thermodynamics.BaseClasses.Compound(comp2.Name, ""));
phase.Compounds[comp2.Name].ConstantProperties = comp2;
}
double val;
if (Double.TryParse(tval.Text, out val))
{
ms.Phases[0].Properties.temperature = cv.ConvertToSI(su.temperature, Double.Parse(tval.Text));
}
if (Double.TryParse(pval.Text, out val))
{
ms.Phases[0].Properties.pressure = cv.ConvertToSI(su.pressure, Double.Parse(pval.Text));
}
var calc = new DWSIM.Thermodynamics.ShortcutUtilities.Calculation(ms);
switch (spinnerPE.SelectedIndex)
{
case 0:
calc.CalcType = Thermodynamics.ShortcutUtilities.CalculationType.BinaryEnvelopePxy;
break;
case 1:
calc.CalcType = Thermodynamics.ShortcutUtilities.CalculationType.BinaryEnvelopeTxy;
break;
}
DWSIM.Thermodynamics.ShortcutUtilities.CalculationResults results = null;
Task.Factory.StartNew(() =>
{
Application.Instance.Invoke(() => txtResults.Text = "Please wait...");
results = calc.Calculate();
}).ContinueWith((t) =>
{
Application.Instance.Invoke(() =>
{
if (results.ExceptionResult == null)
{
if (results.PlotModels.Count > 0)
{
chart.Model = (OxyPlot.PlotModel)results.PlotModels[0];
chart.Invalidate();
txtResults.Text = results.TextOutput;
}
else
{
chart.Model = null;
txtResults.Text = "Invalid result";
}
}
else
{
txtResults.Text = results.ExceptionResult.Message;
}
});
});
}
};
}
void RedrawBinaryAnalysisCharts()
{
var chart = new ChartModel();
chart.Title = SelectedBinaryAnalysis.ToString() + " [" + BinaryComponent1.ID + " /" + BinaryComponent2.ID + "]";
chart.XAxisTitle = "Molar Composition " + BinaryComponent1.ID + " [mol/mol]";
chart.XMin = 0;
chart.XMax = 1;
chart.AutoScaleY = true;
int steps = 31;
List <double> y1Values = new List <double>();
List <double> y2Values = new List <double>();
List <double> x1Values = new List <double>();
List <double> x2Values = new List <double>();
var eval = new Evaluator();
var stream = new MaterialStream("S1", CurrentSystem);
foreach (var comp in CurrentSystem.Components)
{
if (comp != BinaryComponent1 && comp != BinaryComponent2)
{
stream.Specify("n[" + comp.ID + "]", 0.0);
}
}
var solver = new Newton();
var flashAlgo = new FlashRoutines(solver);
switch (SelectedBinaryAnalysis)
{
case BinaryAnalysisType.PXY:
{
chart.YAxisTitle = "Pressure [mbar]";
chart.Title += " at " + TemperatureForPX + " °C";
chart.LegendPosition = LegendPosition.TopLeft;
stream.Specify("T", TemperatureForPX, METRIC.C);
stream.Specify("p", 1000, METRIC.mbar);
stream.Specify("n[" + BinaryComponent1.ID + "]", 0.0);
stream.Specify("n[" + BinaryComponent2.ID + "]", 1.0);
flashAlgo.CalculateTP(stream);
stream.Unspecify("p");
stream.Specify("VF", 0);
var equationSystem = GetEquationSystem(stream);
for (int i = 0; i < steps; i++)
{
var x1 = (double)i / (double)(steps - 1);
var x2 = 1.0 - x1;
stream.Specify("n[" + BinaryComponent1.ID + "]", x1);
stream.Specify("n[" + BinaryComponent2.ID + "]", x2);
solver.Solve(equationSystem);
eval.Reset();
x1Values.Add(x1);
y1Values.Add(stream.GetVariable("p").ValueInSI / 100.0);
}
stream.Specify("VF", 1);
for (int i = 0; i < steps; i++)
{
var x1 = (double)i / (double)(steps - 1);
var x2 = 1.0 - x1;
stream.Specify("n[" + BinaryComponent1.ID + "]", x1);
stream.Specify("n[" + BinaryComponent2.ID + "]", x2);
solver.Solve(equationSystem);
eval.Reset();
x2Values.Add(x1);
y2Values.Add(stream.GetVariable("p").ValueInSI / 100.0);
}
}
break;
case BinaryAnalysisType.TXY:
{
chart.YAxisTitle = "Temperature [°C]";
chart.Title += " at " + PressureForTX + " mbar";
chart.LegendPosition = LegendPosition.TopRight;
stream.Specify("T", 25, METRIC.C);
stream.Specify("p", PressureForTX, METRIC.mbar);
stream.Specify("n[" + BinaryComponent1.ID + "]", 0.0);
stream.Specify("n[" + BinaryComponent2.ID + "]", 1.0);
flashAlgo.CalculateTP(stream);
stream.Unspecify("T");
stream.Specify("VF", 0);
var equationSystem = GetEquationSystem(stream);
for (int i = 0; i < steps; i++)
{
var x1 = (double)i / (double)(steps - 1);
var x2 = 1.0 - x1;
stream.Specify("VF", 0);
stream.Specify("n[" + BinaryComponent1.ID + "]", x1);
stream.Specify("n[" + BinaryComponent2.ID + "]", x2);
solver.Solve(equationSystem);
eval.Reset();
x1Values.Add(x1);
y1Values.Add(stream.GetVariable("T").ValueInSI - 273.15);
stream.Specify("VF", 1.0);
solver.Solve(equationSystem);
eval.Reset();
x2Values.Add(x1);
y2Values.Add(stream.GetVariable("T").ValueInSI - 273.150);
}
}
break;
case BinaryAnalysisType.XY:
{
chart.YAxisTitle = "Molar Composition Vapor [mol/mol]";
chart.Title += " at " + PressureForTX + " mbar";
chart.LegendPosition = LegendPosition.TopLeft;
stream.Specify("T", 25, METRIC.C);
stream.Specify("p", PressureForTX, METRIC.mbar);
stream.Specify("n[" + BinaryComponent1.ID + "]", 0.0);
stream.Specify("n[" + BinaryComponent2.ID + "]", 1.0);
flashAlgo.CalculateTP(stream);
stream.Specify("VF", 0);
stream.Unspecify("T");
var equationSystem = GetEquationSystem(stream);
for (int i = 0; i < steps; i++)
{
var x1 = (double)i / (double)(steps - 1);
var x2 = 1.0 - x1;
stream.Specify("n[" + BinaryComponent1.ID + "]", x1);
stream.Specify("n[" + BinaryComponent2.ID + "]", x2);
solver.Solve(equationSystem);
eval.Reset();
x1Values.Add(x1);
y1Values.Add(stream.GetVariable("xV[" + BinaryComponent1.ID + "]").ValueInSI);
x2Values.Add(x2);
y2Values.Add(stream.GetVariable("xV[" + BinaryComponent2.ID + "]").ValueInSI);
}
}
break;
}
var ySeries1 = new SeriesModel(BinaryComponent1.ID, SeriesType.Line, x1Values, y1Values, "Red");
var ySeries2 = new SeriesModel(BinaryComponent2.ID, SeriesType.Line, x2Values, y2Values, "Blue");
chart.Series.Add(ySeries1);
chart.Series.Add(ySeries2);
BinaryAnalysisChart = _chartFactory.Create(chart);
}
void Init()
{
pp = new DWSIM.Thermodynamics.PropertyPackages.RaoultPropertyPackage(false);
MatStream = new MaterialStream("", "", flowsheet, pp);
//add compound to the dummy material stream
foreach (var phase in MatStream.Phases.Values)
{
phase.Compounds.Add(compound.Name, new Compound(compound.Name, ""));
phase.Compounds[compound.Name].ConstantProperties = compound;
}
MatStream.EqualizeOverallComposition();
pp.CurrentMaterialStream = MatStream;
var container1 = new DynamicLayout {
Padding = new Padding(10), Tag = "Constant"
};
AddProperties(container1);
var container2 = new DynamicLayout {
Padding = new Padding(10), Tag = "Molecular"
};
AddMolecularProperties(container2);
SetupGraphicalData();
var su = flowsheet.FlowsheetOptions.SelectedUnitSystem;
Pages.Add(new TabPage {
Content = new Scrollable {
Content = container1
}, Text = (string)container1.Tag
});
Pages.Add(new TabPage {
Content = container2, Text = (string)container2.Tag
});
if (!compound.IsSalt && !compound.IsIon && !compound.IsBlackOil)
{
var tabl = new TabControl();
tabl.Pages.Add(new TabPage
{
Text = "Heat Capacity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxLiqCp.ToArray(), vyLiqCp.ToArray(),
"Heat Capacity", "", "Temperature" + " (" + su.temperature + ")", "Heat Capacity" + " (" + su.heatCapacityCp + ")")
}
});
tabl.Pages.Add(new TabPage
{
Text = "Vapor Pressure",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxPvap.ToArray(), vyPvap.ToArray(),
"Vapor Pressure", "", "Temperature" + " (" + su.temperature + ")", "Vapor Pressure" + " (" + su.vaporPressure + ")")
}
});
tabl.Pages.Add(new TabPage
{
Text = "Heat of Vaporization",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxDHvap.ToArray(), vyDHvap.ToArray(),
"Heat of Vaporization", "", "Temperature" + " (" + su.temperature + ")", "Heat of Vaporization" + " (" + su.enthalpy + ")")
}
});
tabl.Pages.Add(new TabPage
{
Text = "Density",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxLD.ToArray(), vyLD.ToArray(),
"Density", "", "Temperature", "Density" + " (" + su.density + ")")
}
});
tabl.Pages.Add(new TabPage
{
Text = "Viscosity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxVisc.ToArray(), vyVisc.ToArray(),
"Viscosity", "", "Temperature" + " (" + su.temperature + ")", "Viscosity" + " (" + su.viscosity + ")")
}
});
tabl.Pages.Add(new TabPage
{
Text = "Thermal Conductivity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxLiqThCond.ToArray(), vyLiqThCond.ToArray(),
"Thermal Conductivity", "", "Temperature", "Thermal Conductivity" + " (" + su.thermalConductivity + ")")
}
});
tabl.Pages.Add(new TabPage
{
Text = "Surface Tension",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxSurfTens.ToArray(), vySurfTens.ToArray(),
"Surface Tension", "", "Temperature" + " (" + su.temperature + ")", "Surface Tension" + " (" + su.surfaceTension + ")")
}
});
var tabv = new TabControl();
tabv.Pages.Add(new TabPage
{
Text = "Ideal Gas Heat Capacity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxCp.ToArray(), vyCp.ToArray(),
"Ideal Gas Heat Capacity", "", "Temperature" + " (" + su.temperature + ")", "Ideal Gas Heat Capacity" + " (" + su.heatCapacityCp + ")")
}
});
tabv.Pages.Add(new TabPage
{
Text = "Viscosity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxVapVisc.ToArray(), vyVapVisc.ToArray(),
"Viscosity", "", "Temperature" + " (" + su.temperature + ")", "Viscosity" + " (" + su.viscosity + ")")
}
});
tabv.Pages.Add(new TabPage
{
Text = "Thermal Conductivity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxVapThCond.ToArray(), vyVapThCond.ToArray(),
"Thermal Conductivity", "", "Temperature" + " (" + su.temperature + ")", "Thermal Conductivity" + " (" + su.thermalConductivity + ")")
}
});
var tabs = new TabControl();
tabs.Pages.Add(new TabPage
{
Text = "Heat Capacity",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxSCP.ToArray(), vySCP.ToArray(),
"Heat Capacity", "", "Temperature" + " (" + su.temperature + ")", "Heat Capacity" + " (" + su.heatCapacityCp + ")")
}
});
tabs.Pages.Add(new TabPage
{
Text = "Density",
Content = new Eto.OxyPlot.Plot
{
Model = c.CreatePlotModel(vxSD.ToArray(), vySD.ToArray(),
"Density", "", "Temperature" + " (" + su.temperature + ")", "Density" + " (" + su.density + ")")
}
});
Pages.Add(new TabPage {
Content = tabl, Text = "Liquid"
});
Pages.Add(new TabPage {
Content = tabv, Text = "Vapor"
});
Pages.Add(new TabPage {
Content = tabs, Text = "Solid"
});
}
}
void Init()
{
Spacing = new Size(5, 5);
DynamicLayout p1;
TableLayout p2;
p1 = UI.Shared.Common.GetDefaultContainer();
p2 = new TableLayout()
{
Spacing = new Size(5, 5), Padding = new Padding(15)
};
Rows.Add(new TableRow(p1, p2));
p1.Width = 420;
var l1 = p1.CreateAndAddLabelRow("Envelope Setup");
var tabcontainer = new TabControl();
Eto.OxyPlot.Plot chart = null;
var su = flowsheet.FlowsheetOptions.SelectedUnitSystem;
var nf = flowsheet.FlowsheetOptions.NumberFormat;
var complist = flowsheet.SelectedCompounds.Values.Select((x2) => x2.Name).ToList();
complist.Insert(0, "");
p1.CreateAndAddDescriptionRow("The Binary Envelope utility calculates Temperature and Pressure VLE/VLLE envelopes for binary mixtures.");
var spinnerComp1 = p1.CreateAndAddDropDownRow("Compound 1", complist, 0, null);
var spinnerComp2 = p1.CreateAndAddDropDownRow("Compound 2", complist, 0, null);
var spinnerPE = p1.CreateAndAddDropDownRow("Envelope Type", Shared.StringArrays.binaryenvelopetype().ToList(), 1, null);
var tval = p1.CreateAndAddTextBoxRow(nf, "Temperature (" + su.temperature + ")", cv.ConvertFromSI(su.temperature, 298.15f), null);
var pval = p1.CreateAndAddTextBoxRow(nf, "Pressure (" + su.pressure + ")", cv.ConvertFromSI(su.pressure, 101325.0f), null);
bool vle = true, lle = false, sle = false, critical = false, areas = false;
p1.CreateAndAddLabelRow("Display Options");
p1.CreateAndAddCheckBoxRow("VLE", vle, (arg1a, arg2a) => { vle = arg1a.Checked.GetValueOrDefault(); });
p1.CreateAndAddDescriptionRow("VLE calculation works on all diagram types.");
p1.CreateAndAddCheckBoxRow("LLE", lle, (arg1a, arg2a) => { lle = arg1a.Checked.GetValueOrDefault(); });
p1.CreateAndAddDescriptionRow("LLE calculation works on T-x/y and P-x/y diagrams if the selected Property Package is associated with a Flash Algorithm which supports Liquid-Liquid equilibria.");
p1.CreateAndAddCheckBoxRow("SLE", sle, (arg1a, arg2a) => { sle = arg1a.Checked.GetValueOrDefault(); });
p1.CreateAndAddDescriptionRow("SLE calculation works on T-x/y diagrams only.");
p1.CreateAndAddCheckBoxRow("Critical Line", critical, (arg1a, arg2a) => { critical = arg1a.Checked.GetValueOrDefault(); });
p1.CreateAndAddDescriptionRow("Critical Line calculation works on T-x/y diagrams only.");
p1.CreateAndAddCheckBoxRow("Highlight Regions", areas, (arg1a, arg2a) => { areas = arg1a.Checked.GetValueOrDefault(); });
p1.CreateAndAddDescriptionRow("Highlights the different phase regions in the envelope.");
var pplist = flowsheet.PropertyPackages.Values.Select((x2) => x2.Tag).ToList();
pplist.Insert(0, "");
var spinnerpp = p1.CreateAndAddDropDownRow("Property Package", pplist, 0, null);
var button = p1.CreateAndAddButtonRow("Build Envelope", null, null);
chart = new Eto.OxyPlot.Plot {
BackgroundColor = Colors.White
};
var txtResults = new TextArea()
{
ReadOnly = true, Font = Fonts.Monospace(GlobalSettings.Settings.ResultsReportFontSize)
};
tabcontainer.Pages.Add(new TabPage(new TableRow(chart))
{
Text = "Chart"
});
tabcontainer.Pages.Add(new TabPage(new TableRow(txtResults))
{
Text = "Data"
});
p2.CreateAndAddLabelRow("Results");
p2.CreateAndAddControlRow(tabcontainer);
button.Click += (sender, e) =>
{
if (spinnerPE.SelectedIndex >= 0 && spinnerComp1.SelectedIndex > 0 && spinnerComp2.SelectedIndex > 0 && spinnerpp.SelectedIndex > 0)
{
var comp1 = flowsheet.SelectedCompounds[complist[spinnerComp1.SelectedIndex]];
var comp2 = flowsheet.SelectedCompounds[complist[spinnerComp2.SelectedIndex]];
var ms = new MaterialStream("", "");
ms.SetFlowsheet(flowsheet);
ms.PropertyPackage = (PropertyPackage)flowsheet.PropertyPackages.Values.Where(x => x.Tag == spinnerpp.SelectedValue.ToString()).First();
ms.SetFlowsheet(flowsheet);
foreach (var phase in ms.Phases.Values)
{
phase.Compounds.Add(comp1.Name, new DWSIM.Thermodynamics.BaseClasses.Compound(comp1.Name, ""));
phase.Compounds[comp1.Name].ConstantProperties = comp1;
phase.Compounds.Add(comp2.Name, new DWSIM.Thermodynamics.BaseClasses.Compound(comp2.Name, ""));
phase.Compounds[comp2.Name].ConstantProperties = comp2;
}
double val;
if (Double.TryParse(tval.Text, out val))
{
ms.Phases[0].Properties.temperature = cv.ConvertToSI(su.temperature, Double.Parse(tval.Text));
}
if (Double.TryParse(pval.Text, out val))
{
ms.Phases[0].Properties.pressure = cv.ConvertToSI(su.pressure, Double.Parse(pval.Text));
}
var calc = new DWSIM.Thermodynamics.ShortcutUtilities.Calculation(ms);
calc.DisplayEnvelopeAreas = areas;
calc.BinaryEnvelopeOptions = new object[] { "", 0, 0, vle, lle, sle, critical, false };
switch (spinnerPE.SelectedIndex)
{
case 0:
calc.CalcType = Thermodynamics.ShortcutUtilities.CalculationType.BinaryEnvelopePxy;
break;
case 1:
calc.CalcType = Thermodynamics.ShortcutUtilities.CalculationType.BinaryEnvelopeTxy;
break;
}
DWSIM.Thermodynamics.ShortcutUtilities.CalculationResults results = null;
var token = new System.Threading.CancellationTokenSource();
var pg = ProgressDialog.ShowWithAbort(this, "Please Wait", "Calculating Envelope Lines...", false, "Abort/Cancel", (s, e1) => {
token.Cancel();
});
Task.Factory.StartNew(() =>
{
Application.Instance.Invoke(() =>
{
txtResults.Text = "Please wait...";
});
results = calc.Calculate();
}, token.Token).ContinueWith((t) =>
{
Application.Instance.Invoke(() =>
{
pg.Close();
pg = null;
if (results.ExceptionResult == null)
{
if (results.PlotModels.Count > 0)
{
chart.Model = (OxyPlot.PlotModel)results.PlotModels[0];
chart.Model.Padding = new OxyPlot.OxyThickness(5, 5, 20, 5);
chart.Invalidate();
txtResults.Text = results.TextOutput;
}
else
{
chart.Model = null;
txtResults.Text = "Invalid result";
}
}
else
{
txtResults.Text = results.ExceptionResult.Message;
}
});
});
}
};
}
private void FlashCurrentStage(FlashRoutines flash, MaterialStream stageStream, Port <MaterialStream> VIn, Port <MaterialStream> LIn, int i)
{
stageStream.Mixed.Temperature.ValueInSI = _trays[i].T.ValueInSI;
stageStream.Mixed.Pressure.ValueInSI = _trays[i].p.ValueInSI;
var enthsum = 0.0;
if (i > 0)
{
enthsum += _trays[i - 1].L.ValueInSI * _trays[i - 1].HL.ValueInSI;
}
else
{
enthsum += LIn.Streams[0].Mixed.TotalMolarflow.ValueInSI * LIn.Streams[0].Mixed.SpecificEnthalpy.ValueInSI;
}
if (i < NumberOfTrays - 1)
{
enthsum += _trays[i + 1].V.ValueInSI * _trays[i + 1].HV.ValueInSI;
}
else
{
enthsum += VIn.Streams[0].Mixed.TotalMolarflow.ValueInSI * VIn.Streams[0].Mixed.SpecificEnthalpy.ValueInSI;
}
enthsum += _trays[i].F.ValueInSI * _trays[i].HF.ValueInSI;
for (int j = 0; j < System.Components.Count; j++)
{
var flowsum = 0.0;
if (i > 0)
{
flowsum += _trays[i - 1].L.ValueInSI * _trays[i - 1].x[j].ValueInSI;
}
else
{
flowsum += LIn.Streams[0].Mixed.ComponentMolarflow[j].ValueInSI;
}
flowsum += _trays[i].F.ValueInSI * _trays[i].z[j].ValueInSI;
if (i < NumberOfTrays - 1)
{
flowsum += _trays[i].V.ValueInSI * _trays[i].y[j].ValueInSI;
}
else
{
flowsum += VIn.Streams[0].Mixed.ComponentMolarflow[j].ValueInSI;
}
stageStream.Mixed.ComponentMolarflow[j].ValueInSI = flowsum;
}
//stageStream.Mixed. = enthsum ;
//stageStream.Vfmolar.ValueInSI = 0.5;
//flash.CalculateZP(stageStream);
flash.CalculatePQ(stageStream, enthsum);
_trays[i].V.ValueInSI = stageStream.Vapor.TotalMolarflow.ValueInSI;
_trays[i].L.ValueInSI = stageStream.Liquid.TotalMolarflow.ValueInSI;
for (int j = 0; j < System.Components.Count; j++)
{
_trays[i].y[j].ValueInSI = stageStream.Vapor.ComponentMolarFraction[j].ValueInSI;
_trays[i].x[j].ValueInSI = stageStream.Liquid.ComponentMolarFraction[j].ValueInSI;
}
}
public Equation GetDefiningEquation(MaterialStream stream)
{
return(GetFactor(stream).IsEqualTo(GetDrivingForce(stream)));
}
public MaterialStreamEditor(ISimulationObject selectedobject, DynamicLayout layout)
{
MatStream = (MaterialStream)selectedobject;
container = layout;
Initialize();
}
void InitRectifaction()
{
int NC = System.Components.Count;
var In = FindMaterialPort("Feeds");
var VIn = FindMaterialPort("VIn");
var LIn = FindMaterialPort("LIn");
var VOut = FindMaterialPort("VOut");
var LOut = FindMaterialPort("LOut");
var Sidestreams = FindMaterialPort("Sidestreams");
var TTop = LIn.Streams[0].Mixed.Temperature.ValueInSI;
var TBot = VIn.Streams[0].Mixed.Temperature.ValueInSI;
var flash1 = new FlashRoutines(new Numerics.Solvers.Newton());
var feedcopy = new MaterialStream("FC", In.Streams[0].System);
feedcopy.CopyFrom(In.Streams[0]);
feedcopy.Vfmolar.ValueInSI = 0.01;
flash1.CalculateZP(feedcopy);
TTop = feedcopy.Mixed.Temperature.ValueInSI;
feedcopy.Vfmolar.ValueInSI = 0.99;
flash1.CalculateZP(feedcopy);
TBot = feedcopy.Mixed.Temperature.ValueInSI;
foreach (var feed in _feeds)
{
_trays[feed.Stage - 1].HF.ValueInSI = feed.Stream.Mixed.SpecificEnthalpy.ValueInSI;
_trays[feed.Stage - 1].F.ValueInSI = feed.Stream.Mixed.TotalMolarflow.ValueInSI;
_trays[feed.Stage - 1].HF.IsConstant = false;
_trays[feed.Stage - 1].F.IsConstant = false;
for (var comp = 0; comp < NC; comp++)
{
_trays[feed.Stage - 1].z[comp].ValueInSI = feed.Stream.Mixed.ComponentMolarFraction[comp].ValueInSI;
_trays[feed.Stage - 1].z[comp].IsConstant = false;
}
}
for (int i = 0; i < NumberOfTrays; i++)
{
_trays[i].T.ValueInSI = TTop + (TBot - TTop) / (double)(NumberOfTrays - 1) * i;
_trays[i].TV.ValueInSI = TTop + (TBot - TTop) / (double)(NumberOfTrays - 1) * i;
if (i == 0)
{
_trays[i].L.ValueInSI = In.Streams[0].Mixed.TotalMolarflow.ValueInSI * 0.5;// + LIn.Streams[0].Mixed.TotalMolarflow.ValueInSI;
}
else
{
_trays[i].L.ValueInSI = _trays[i - 1].L.ValueInSI + _trays[i].F.ValueInSI;
}
_trays[i].V.ValueInSI = In.Streams[0].Mixed.TotalMolarflow.ValueInSI;// + VIn.Streams[0].Mixed.TotalMolarflow.ValueInSI;
for (int j = 0; j < System.Components.Count; j++)
{
_trays[i].x[j].ValueInSI = _feeds[0].Stream.Mixed.ComponentMolarFraction[j].ValueInSI;
_trays[i].y[j].ValueInSI = _feeds[0].Stream.Mixed.ComponentMolarFraction[j].ValueInSI;
_trays[i].yeq[j].ValueInSI = _feeds[0].Stream.Mixed.ComponentMolarFraction[j].ValueInSI;
}
}
for (int i = NumberOfTrays - 1; i >= 0; i--)
{
if (i < NumberOfTrays - 1)
{
_trays[i].p.ValueInSI = _trays[i + 1].p.ValueInSI - _trays[i + 1].DP.ValueInSI;
}
else
{
_trays[i].p.ValueInSI = VIn.Streams[0].Mixed.Pressure.ValueInSI;
}
}
InitOutlets();
}