void ParseRKSPure(string[] line)
{
int i = ParseInteger(line[1]);
double a = ParseDouble(line[2]);
double b = ParseDouble(line[3]);
var comp1 = _currentSystem.Components[i - 1];
var rksPure = new MethodConstantParameters();
rksPure.Method = MethodTypes.RKS;
rksPure.Parameters.Add("A", new Variable("RKSA", a / 1e6));
rksPure.Parameters.Add("B", new Variable("RKSB", b));
comp1.MethodParameters.Add(rksPure);
}
void ParseMODUNIQUACPure(string[] line)
{
int i = ParseInteger(line[1]);
double r = ParseDouble(line[2]);
double q = ParseDouble(line[3]);
double qp = ParseDouble(line[4]);
var comp1 = _currentSystem.Components[i - 1];
var uniquacPure = new MethodConstantParameters();
uniquacPure.Method = MethodTypes.ModUniquac;
uniquacPure.Parameters.Add("R", new Variable("ModUniquacR", r));
uniquacPure.Parameters.Add("Q", new Variable("ModUniquacQ", q));
uniquacPure.Parameters.Add("Q'", new Variable("ModUniquacQ'", qp));
comp1.MethodParameters.Add(uniquacPure);
}
public MolecularComponent FindComponent(string name)
{
if (db == null)
{
db = XElement.Load(".\\data\\chemsep1.xml");
}
var comps = from nm in db.Elements("compound")
where (string)nm.Element("CompoundID").Attribute("value") == name
select nm;
if (comps.Count() == 1)
{
var c = comps.First();
var component = new MolecularComponent()
{
Name = name,
ID = name,
CasNumber = (string)c.Element("CAS").Attribute("value")
};
component.Constants.Add(GetConstant(c.Element("MolecularWeight"), ConstantProperties.MolarWeight));
component.Constants.Add(GetConstant(c.Element("CriticalTemperature"), ConstantProperties.CriticalTemperature));
component.Constants.Add(GetConstant(c.Element("CriticalPressure"), ConstantProperties.CriticalPressure));
component.Constants.Add(GetConstant(c.Element("AcentricityFactor"), ConstantProperties.AcentricFactor));
component.Functions.Add(GetFunction(c.Element("VaporPressure"), EvaluatedProperties.VaporPressure));
component.Functions.Add(GetFunction(c.Element("HeatOfVaporization"), EvaluatedProperties.HeatOfVaporization));
component.Functions.Add(GetFunction(c.Element("LiquidDensity"), EvaluatedProperties.LiquidDensity));
component.Functions.Add(GetFunction(c.Element("LiquidHeatCapacityCp"), EvaluatedProperties.LiquidHeatCapacity));
component.Functions.Add(GetFunction(c.Element("LiquidViscosity"), EvaluatedProperties.LiquidViscosity));
component.Functions.Add(GetFunction(c.Element("LiquidThermalConductivity"), EvaluatedProperties.LiquidHeatConductivity));
component.Functions.Add(GetFunction(c.Element("RPPHeatCapacityCp"), EvaluatedProperties.IdealGasHeatCapacity));
component.Functions.Add(GetFunction(c.Element("VaporViscosity"), EvaluatedProperties.VaporViscosity));
component.Functions.Add(GetFunction(c.Element("VaporThermalConductivity"), EvaluatedProperties.VaporHeatConductivity));
component.Functions.Add(GetFunction(c.Element("SurfaceTension"), EvaluatedProperties.SurfaceTension));
if (c.Element("UniquacR") != null && c.Element("UniquacQ") != null)
{
var r = (double)c.Element("UniquacR").Attribute("value");
var q = (double)c.Element("UniquacQ").Attribute("value");
var uniquacPure = new MethodConstantParameters();
uniquacPure.Method = MethodTypes.Uniquac;
uniquacPure.Parameters.Add("R", new Variable("UniquacR", r));
uniquacPure.Parameters.Add("Q", new Variable("UniquacQ", q));
uniquacPure.Parameters.Add("Q'", new Variable("UniquacQ'", q));
component.MethodParameters.Add(uniquacPure);
}
/*
* var uniquacPure = new MethodConstantParameters();
* uniquacPure.Method = MethodTypes.Uniquac;
* uniquacPure.Parameters.Add("R", new Variable("UniquacR", r));
* uniquacPure.Parameters.Add("Q", new Variable("UniquacQ", q));
* uniquacPure.Parameters.Add("Q'", new Variable("UniquacQ'", qp));
* comp1.MethodParameters.Add(uniquacPure);
* */
//CPIG, HVAP, CL, DENL, VP
return(component);
}
else
{
throw new ArgumentException("No compound found for name " + name);
}
}
