public Expression GetLiquidEnthalpyExpression(ThermodynamicSystem sys, int idx, Variable T)
{
Variable Tref = sys.EnthalpyMethod.PureComponentEnthalpies[idx].Tref;
Expression expr = null;
var comp = sys.Components[idx];
if (sys.EnthalpyMethod.PureComponentEnthalpies[idx].ReferenceState == PhaseState.Liquid)
{
expr = sys.EnthalpyMethod.PureComponentEnthalpies[idx].Href
+ Sym.Par(sys.EquationFactory.GetLiquidHeatCapacityIntegralExpression(sys, comp, T, Tref));
}
else
{
if (sys.EnthalpyMethod.PureComponentEnthalpies[idx].PhaseChangeAtSystemTemperature)
{
expr = sys.EnthalpyMethod.PureComponentEnthalpies[idx].Href
+ Sym.Par(sys.EquationFactory.GetIdealGasHeatCapacityIntegralExpression(sys, comp, T, Tref))
- sys.EquationFactory.GetEnthalpyOfVaporizationExpression(sys, comp, T);
}
else
{
expr = sys.EnthalpyMethod.PureComponentEnthalpies[idx].Href
+ Sym.Par(sys.EquationFactory.GetIdealGasHeatCapacityIntegralExpression(sys, comp, sys.EnthalpyMethod.PureComponentEnthalpies[idx].TPhaseChange, Tref))
- sys.EquationFactory.GetEnthalpyOfVaporizationExpression(sys, comp, sys.EnthalpyMethod.PureComponentEnthalpies[idx].TPhaseChange)
+ Sym.Par(sys.EquationFactory.GetLiquidHeatCapacityIntegralExpression(sys, comp, T, sys.EnthalpyMethod.PureComponentEnthalpies[idx].TPhaseChange));
}
}
Variable prop = new Variable("hL" + "(" + T.FullName + ")", 1);
prop.Subscript = sys.Components[idx].ID;
prop.BindTo(expr);
return(expr);
}
public DiffusionCoefficients(ThermodynamicSystem system)
{
_system = system;
NC = _system.Components.Count;
Name = "DVIJ0";
Matrices.Add("A", new double[NC, NC]);
}
public SRK(ThermodynamicSystem system)
{
_system = system;
NC = _system.Components.Count;
Name = "SRK";
Matrices.Add("kij", new double[NC, NC]);
}
public Variable GetAverageMolarWeightExpression(ThermodynamicSystem system, Variable[] z)
{
var NC = system.Components.Count;
var molw = Sym.Sum(0, NC, j => Sym.Convert(system.Components[j].MolarWeight, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.MolarWeight]) * z[j]);
Variable prop = new Variable("MOLW", 1);
prop.Subscript = "avg";
prop.BindTo(molw);
return(prop);
}
public Variable GetAverageVaporViscosityExpression(ThermodynamicSystem system, Variable[] y, Variable T, Variable p)
{
var NC = system.Components.Count;
var visv = Sym.Sum(0, NC, j => y[j] * Sym.Sqrt(Sym.Convert(system.Components[j].MolarWeight, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.MolarWeight])) * GetVaporViscosityExpression(system, system.Components[j], T, p)) / Sym.Sum(0, NC, j => y[j] * Sym.Sqrt(Sym.Convert(system.Components[j].MolarWeight, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.MolarWeight])));
Variable prop = new Variable("VISV" + "(" + T.FullName + ")", 1);
prop.Subscript = "avg";
prop.BindTo(visv);
return(prop);
}
public Variable ActivityCoefficient(ThermodynamicSystem system, Variable g, Variable T, List <Variable> x, int index)
{
Expression liquidPart = null;
switch (system.EquilibriumMethod.EquilibriumApproach)
{
case EquilibriumApproach.GammaPhi:
switch (system.EquilibriumMethod.Activity)
{
case ActivityMethod.UNIQUAC:
{
var gamma = new ActivityCoefficientUNIQUAC(system, T, x, index);
liquidPart = gamma;
break;
}
case ActivityMethod.NRTL:
{
var gamma = new ActivityCoefficientNRTL(system, T, x, index);
liquidPart = gamma;
break;
}
case ActivityMethod.Wilson:
{
var gamma = new ActivityCoefficientWilson(system, T, x, index);
liquidPart = gamma;
break;
}
default:
liquidPart = 1.0;
break;
}
break;
case EquilibriumApproach.PhiPhi:
{
switch (system.EquilibriumMethod.EquationOfState)
{
case EquationOfState.SoaveRedlichKwong:
liquidPart = 1.0;
break;
default:
throw new NotSupportedException("Only SoaveRedlichKwong allowed");
}
break;
}
}
g.Subscript = system.Components[index].ID;
g.BindTo(liquidPart);
return(g);
}
public Variable GetVaporDensityExpression(ThermodynamicSystem system, MolecularComponent comp, Variable T, Variable p)
{
var R = new Variable("R", 8.3144621, SI.J / SI.mol / SI.K);
var expression = p / (R * T);
// expression *= Unit.GetConversionFactor(SI.mol / (SI.m ^ 3), system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.MolarDensity]);
Variable prop = new Variable("DENV" + "(" + T.FullName + ")", 1);
prop.Subscript = comp.ID;
prop.BindTo(expression);
return(prop);
}
public WILSON(ThermodynamicSystem system)
{
_system = system;
NC = _system.Components.Count;
Name = "WILSON";
Matrices.Add("A", new double[NC, NC]);
Matrices.Add("B", new double[NC, NC]);
Matrices.Add("C", new double[NC, NC]);
Matrices.Add("D", new double[NC, NC]);
}
public static PureEnthalpyFunction Create(ThermodynamicSystem sys, MolecularComponent comp)
{
var func = new PureEnthalpyFunction();
func.Component = comp;
func.Tref = sys.VariableFactory.CreateVariable("Tref", "Reference temperature for enthalpy calculation", PhysicalDimension.Temperature);
func.Href = sys.VariableFactory.CreateVariable("Href", "Reference enthalpy for enthalpy calculation", PhysicalDimension.SpecificMolarEnthalpy);
func.PhaseChangeAtSystemTemperature = true;
func.TPhaseChange = sys.VariableFactory.CreateVariable("TPC", "Temperature of phase change for enthalpy calculation", PhysicalDimension.Temperature);
func.ReferenceState = PhaseState.Vapour;
return(func);
}
public UNIQUAC(ThermodynamicSystem system)
{
_system = system;
NC = _system.Components.Count;
Name = "UNIQUAC";
Matrices.Add("A", new double[NC, NC]);
Matrices.Add("B", new double[NC, NC]);
Matrices.Add("C", new double[NC, NC]);
Matrices.Add("D", new double[NC, NC]);
Matrices.Add("E", new double[NC, NC]);
Matrices.Add("F", new double[NC, NC]);
}
public Expression GetLiquidHeatCapacityExpression(ThermodynamicSystem system, MolecularComponent comp, Variable T)
{
var func = comp.GetFunction(EvaluatedProperties.LiquidHeatCapacity);
var expr = system.CorrelationFactory.CreateExpression(func.Type, func, T, comp.GetConstant(ConstantProperties.CriticalTemperature), comp.GetConstant(ConstantProperties.CriticalPressure));
expr *= Unit.GetConversionFactor(func.YUnit, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.HeatCapacity]);
Variable prop = new Variable(system.CorrelationFactory.GetVariableNameForProperty(func.Property) + "(" + T.FullName + ")", 1);
prop.Subscript = comp.ID;
prop.BindTo(expr);
return(prop);
}
public Variable GetVaporViscosityExpression(ThermodynamicSystem system, MolecularComponent comp, Variable T, Variable p)
{
var func = comp.GetFunction(EvaluatedProperties.VaporViscosity);
var expression = system.CorrelationFactory.CreateExpression(func.Type, func, T, null, null);
expression *= Unit.GetConversionFactor(func.YUnit, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.DynamicViscosity]);
Variable prop = new Variable(system.CorrelationFactory.GetVariableNameForProperty(func.Property) + "(" + T.FullName + ")", 1);
prop.LowerBound = 0;
prop.Subscript = comp.ID;
prop.BindTo(expression);
return(prop);
}
public Variable EquilibriumCoefficientLLE(ThermodynamicSystem system, Variable K, Variable T, Variable p, List <Variable> x1, List <Variable> x2, int index)
{
Expression liquid1Part = null;
Expression liquid2Part = null;
var currentComponent = system.Components[index];
if (String.IsNullOrEmpty(K.Subscript))
{
K.Subscript = system.Components[index].ID;
}
switch (system.EquilibriumMethod.EquilibriumApproach)
{
case EquilibriumApproach.GammaPhi:
switch (system.EquilibriumMethod.Activity)
{
case ActivityMethod.UNIQUAC:
{
liquid1Part = new ActivityCoefficientUNIQUAC(system, T, x1, index);
liquid2Part = new ActivityCoefficientUNIQUAC(system, T, x2, index);
K.BindTo(liquid2Part / liquid1Part);
break;
}
case ActivityMethod.NRTL:
{
liquid1Part = new ActivityCoefficientNRTL(system, T, x1, index);
liquid2Part = new ActivityCoefficientNRTL(system, T, x2, index);
K.BindTo(liquid2Part / liquid1Part);
break;
}
case ActivityMethod.Wilson:
throw new NotSupportedException("Cannot calculate LLE with Wilson Activity Coefficient Model");
default:
throw new NotSupportedException("Cannot calculate LLE without Activity Coefficient Model");
}
break;
case EquilibriumApproach.PhiPhi:
{
throw new NotSupportedException("Only Activity Coefficient Models allowed for LLE");
}
}
return(K);
}
public Variable GetVaporPressure(ThermodynamicSystem system, MolecularComponent comp, Variable T)
{
var func = comp.GetFunction(EvaluatedProperties.VaporPressure);
var expr = system.CorrelationFactory.CreateExpression(func.Type, func, T, comp.GetConstant(ConstantProperties.CriticalTemperature), comp.GetConstant(ConstantProperties.CriticalPressure));
expr *= Unit.GetConversionFactor(func.YUnit, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.Pressure]);
//var exprmax = system.CorrelationFactory.CreateExpression(func.Type, func, comp.GetConstant(ConstantProperties.CriticalTemperature), comp.GetConstant(ConstantProperties.CriticalTemperature), comp.GetConstant(ConstantProperties.CriticalPressure));
//var maxVal = exprmax.Eval(new Evaluator());
Variable prop = new Variable(system.CorrelationFactory.GetVariableNameForProperty(func.Property) + "(" + T.FullName + ")", 1);
prop.Subscript = comp.ID;
// prop.UpperBound = 1e9;
prop.BindTo(expr);
return(prop);
}
public Variable GetLiquidDensityExpression(ThermodynamicSystem system, MolecularComponent comp, Variable T, Variable p)
{
var func = comp.GetFunction(EvaluatedProperties.LiquidDensity);
var TC = comp.GetConstant(ConstantProperties.CriticalTemperature);
var expression = system.CorrelationFactory.CreateExpression(func.Type, func, T, TC, null);
expression *= Unit.GetConversionFactor(func.YUnit, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.MolarDensity]);
var expresssionDENV = GetVaporDensityExpression(system, comp, T, p);
Variable prop = new Variable(system.CorrelationFactory.GetVariableNameForProperty(func.Property) + "(" + T.FullName + ")", 1);
prop.LowerBound = 1e-6;
prop.UpperBound = 1e8;
prop.Subscript = comp.ID;
prop.BindTo(new SafeLiquidDensity(expression, expresssionDENV));
//prop.BindTo(expression);
return(prop);
}
public Expression GetLiquidHeatCapacityIntegralExpression(ThermodynamicSystem system, MolecularComponent comp, Variable T, Variable Tref)
{
Expression expression = null;
var func = comp.GetFunction(EvaluatedProperties.LiquidHeatCapacity);
switch (func.Type)
{
case FunctionType.Polynomial:
expression = system.CorrelationFactory.CreateIntegratedExpression(FunctionType.PolynomialIntegrated, func, T, Tref);
expression *= Unit.GetConversionFactor(func.YUnit, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.HeatCapacity]);
break;
case FunctionType.AlyLee:
expression = system.CorrelationFactory.CreateIntegratedExpression(FunctionType.Dippr117, func, T, Tref);
expression *= Unit.GetConversionFactor(func.YUnit, system.VariableFactory.Internal.UnitDictionary[PhysicalDimension.HeatCapacity]);
break;
}
Variable prop = new Variable(system.CorrelationFactory.GetVariableNameForProperty(func.Property) + "_INT" + "(" + T.FullName + ")", 1);
prop.Subscript = comp.ID;
prop.BindTo(expression);
return(prop);
}
public Variable GetAverageVaporDensityExpression(ThermodynamicSystem system, Variable T, Variable p, List <Variable> y)
{
var NC = system.Components.Count;
if ((system.EquilibriumMethod.EquilibriumApproach == EquilibriumApproach.PhiPhi && system.EquilibriumMethod.EquationOfState == EquationOfState.SoaveRedlichKwong) ||
(system.EquilibriumMethod.EquilibriumApproach == EquilibriumApproach.GammaPhi && system.EquilibriumMethod.Fugacity == FugacityMethod.SoaveRedlichKwong))
{
var rhoV = new VOL_SRK(system, T, p, y);
var pavg = Sym.Binding("DENV", 1.0 / rhoV);
pavg.Subscript = "SRK";
return(pavg);
}
else
{
var R = new Variable("R", 8.3144621, SI.J / SI.mol / SI.K);
var expression = p / (R * T);
Variable prop = new Variable("DENV" + "(" + T.FullName + ")", 1);
prop.Subscript = "ideal";
prop.BindTo(expression);
return(prop);
}
}
public Variable EquilibriumCoefficient(ThermodynamicSystem system, Variable K, Variable T, Variable p, List <Variable> x, List <Variable> y, int index)
{
Expression liquidPart = null;
Expression vaporPart = p;
var currentComponent = system.Components[index];
if (String.IsNullOrEmpty(K.Subscript))
{
K.Subscript = system.Components[index].ID;
}
switch (system.EquilibriumMethod.EquilibriumApproach)
{
case EquilibriumApproach.GammaPhi:
switch (system.EquilibriumMethod.Activity)
{
case ActivityMethod.UNIQUAC:
{
var gamma = new ActivityCoefficientUNIQUAC(system, T, x, index);
if (currentComponent.IsInert)
{
liquidPart = new MixtureHenryCoefficient(system, T, x, index);
}
else
{
liquidPart = gamma * GetVaporPressure(system, currentComponent, T);
}
K.BindTo(liquidPart / vaporPart);
break;
}
case ActivityMethod.NRTL:
{
var gamma = new ActivityCoefficientNRTL(system, T, x, index);
if (currentComponent.IsInert)
{
liquidPart = new MixtureHenryCoefficient(system, T, x, index);
}
else
{
liquidPart = gamma * GetVaporPressure(system, currentComponent, T);
}
K.BindTo(liquidPart / vaporPart);
break;
}
case ActivityMethod.Wilson:
{
var gamma = new ActivityCoefficientWilson(system, T, x, index);
liquidPart = gamma * GetVaporPressure(system, currentComponent, T);
K.BindTo(liquidPart / vaporPart);
break;
}
default:
//liquidPart = GetVaporPressure(system, currentComponent, T);
if (currentComponent.IsInert)
{
liquidPart = new MixtureHenryCoefficient(system, T, x, index);
}
else
{
liquidPart = GetVaporPressure(system, currentComponent, T);
}
K.BindTo(liquidPart / vaporPart);
break;
}
break;
case EquilibriumApproach.PhiPhi:
{
switch (system.EquilibriumMethod.EquationOfState)
{
case EquationOfState.SoaveRedlichKwong:
var eos = new K_EOS_SRK(system, T, p, x, y, index);
K.BindTo(eos);
break;
default:
throw new NotSupportedException("Only SoaveRedlichKwong allowed");
}
break;
}
}
return(K);
}