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 EnthalpyRoute(ThermodynamicSystem system, Variable T, Variable p, List <Variable> x, PhaseState phase)
{
Symbol = "H" + (phase == PhaseState.Liquid ? "L" : "V");
_system = system;
this.T = T;
this.p = p;
this.x = x;
Parameters.Add(T);
Parameters.Add(p);
foreach (var comp in x)
{
Parameters.Add(comp);
}
NC = _system.Components.Count;
_hi = new Expression[NC];
for (int i = 0; i < NC; i++)
{
if (phase == PhaseState.Liquid)
{
_hi[i] = x[i] * _system.EquationFactory.GetLiquidEnthalpyExpression(_system, i, T);
}
else
{
_hi[i] = x[i] * _system.EquationFactory.GetVaporEnthalpyExpression(_system, i, T);
}
}
_htotal = Sym.Binding(Symbol, (Sym.Sum(0, NC, (idx) => _hi[idx])));
DiffFunctional = (cache, v) => NumDiff(cache, v);
EvalFunctional = (cache) => Evaluate(cache);
}
public VOL_SRK(ThermodynamicSystem system, Variable T, Variable p, List <Variable> y)
{
_system = system;
this._T = T;
this._p = p;
this.Phase = PhaseState.Vapour;
Symbol = "VOL_SRK";
var NC = system.Components.Count;
var ai = new double[NC];
var bi = new double[NC];
var Ai = new Expression[NC];
var aij = new Expression[NC, NC];
var bij = new double[NC, NC];
double[,] kij = new double[NC, NC];
double[,] kbij = new double[NC, NC];
// Parameters.Add(T);
// Parameters.Add(p);
// foreach (var c in y)
// Parameters.Add(c);
var parameterSet = _system.BinaryParameters.FirstOrDefault(ps => ps.Name == "SRK");
if (parameterSet != null)
{
kij = parameterSet.Matrices["kij"];
if (parameterSet.Matrices.ContainsKey("kbij"))
{
kbij = parameterSet.Matrices["kbij"];
}
}
for (int i = 0; i < system.Components.Count; i++)
{
var comp = system.Components[i];
var TC = comp.GetConstant(ConstantProperties.CriticalTemperature);
var PC = comp.GetConstant(ConstantProperties.CriticalPressure);
var AC = comp.GetConstant(ConstantProperties.AcentricFactor);
if (comp.HasParameter(MethodTypes.RKS, "A"))
{
ai[i] = comp.GetParameter(MethodTypes.RKS, "A").ValueInSI;
}
else
{
ai[i] = 0.42748 * Math.Pow(_R.ValueInSI, 2.0) * Math.Pow(TC.ValueInSI, 2.0) / PC.ValueInSI;
}
if (comp.HasParameter(MethodTypes.RKS, "B"))
{
bi[i] = comp.GetParameter(MethodTypes.RKS, "B").ValueInSI;
}
else
{
bi[i] = 0.0867 * _R.ValueInSI * TC.ValueInSI / PC.ValueInSI;
}
var mi = 0.48 + 1.574 * AC.ValueInSI - 0.176 * Math.Pow(AC.ValueInSI, 2);
var TR = Sym.Binding("TR", T / TC);
var alphai = Sym.Pow(1.0 + mi * (1 - Sym.Sqrt(TR)), 2.0);
Ai[i] = alphai * ai[i];
}
for (int i = 0; i < system.Components.Count; i++)
{
for (int j = 0; j < system.Components.Count; j++)
{
aij[i, j] = Sym.Sqrt(Ai[i] * Ai[j]) * (1 - kij[i, j]);
bij[i, j] = (bi[i] + bi[j]) / 2.0 * (1 - kbij[i, j]);
}
}
_A = Sym.Sum(0, NC, i => y[i] * Sym.Sum(0, NC, j => y[j] * aij[i, j]));
_B = Sym.Sum(0, NC, i => y[i] * Sym.Sum(0, NC, j => y[j] * bij[i, j]));
DiffFunctional = (cache, v) => NumDiff(cache, v);
EvalFunctional = (cache) => Evaluate(cache);
}
public K_EOS_SRK(ThermodynamicSystem system, Variable T, Variable p, List <Variable> x, List <Variable> y, int idx)
{
index = idx;
_system = system;
this.T = T;
this.p = p;
this.x = x;
this.y = y;
Symbol = "EQ_SRK";
Parameters.Add(T);
Parameters.Add(p);
foreach (var c in x)
{
Parameters.Add(c);
}
foreach (var c in y)
{
Parameters.Add(c);
}
NC = system.Components.Count;
var ai = new double[NC];
var bi = new double[NC];
var Ai = new Expression[NC];
var aij = new Expression[NC, NC];
var bij = new double[NC, NC];
double[,] kij = new double[NC, NC];
double[,] kbij = new double[NC, NC];
var parameterSet = _system.BinaryParameters.FirstOrDefault(ps => ps.Name == "SRK");
if (parameterSet != null)
{
kij = parameterSet.Matrices["kij"];
if (parameterSet.Matrices.ContainsKey("kbij"))
{
kbij = parameterSet.Matrices["kbij"];
}
}
for (int i = 0; i < system.Components.Count; i++)
{
var comp = system.Components[i];
var TC = comp.GetConstant(ConstantProperties.CriticalTemperature);
var PC = comp.GetConstant(ConstantProperties.CriticalPressure);
var AC = comp.GetConstant(ConstantProperties.AcentricFactor);
if (comp.HasParameter(MethodTypes.RKS, "A"))
{
ai[i] = comp.GetParameter(MethodTypes.RKS, "A").ValueInSI;
}
else
{
ai[i] = 0.42748 * Math.Pow(R.ValueInSI, 2.0) * Math.Pow(TC.ValueInSI, 2.0) / PC.ValueInSI;
}
if (comp.HasParameter(MethodTypes.RKS, "B"))
{
bi[i] = comp.GetParameter(MethodTypes.RKS, "B").ValueInSI;
}
else
{
bi[i] = 0.0867 * R.ValueInSI * TC.ValueInSI / PC.ValueInSI;
}
var mi = 0.48 + 1.574 * AC.ValueInSI - 0.176 * Math.Pow(AC.ValueInSI, 2);
var TR = Sym.Binding("TR", T / TC);
var alphai = Sym.Pow(1.0 + mi * (1 - Sym.Sqrt(TR)), 2.0);
Ai[i] = alphai * ai[i];
}
for (int i = 0; i < system.Components.Count; i++)
{
for (int j = 0; j < system.Components.Count; j++)
{
aij[i, j] = Sym.Sqrt(Ai[i] * Ai[j]) * (1 - kij[i, j]);
bij[i, j] = (bi[i] + bi[j]) / 2.0 * (1 - kbij[i, j]);
}
}
for (int ph = 0; ph < 2; ph++)
{
var z = x;
if (ph == 1)
{
z = y;
}
var am = Sym.Sum(0, NC, i => z[i] * Sym.Sum(0, NC, j => z[j] * aij[i, j]));
var asi = Sym.Sum(0, NC, j => z[j] * aij[idx, j]);
var bm = Sym.Sum(0, NC, i => z[i] * Sym.Sum(0, NC, j => z[j] * bij[i, j]));
var bsi = Sym.Sum(0, NC, j => z[j] * bij[idx, j]);
var vme = new VOL_SRK(T, p, am, bm, ph == 0 ? PhaseState.Liquid : PhaseState.Vapour);
var vm = Sym.Binding("vm", vme);
var Bi = 2 * bsi - bm;
var zm = p * vm / (R * T);
var eterm = -am / (bm * R * T) * (2 * asi / am - Bi / bm) * Sym.Ln(1 + bm / vm) + Bi / bm * (zm - 1);
var eVariable = Sym.Binding("RKS_E", eterm);
//PHI[ph] = (R * T) / ((vm - bm) * p) * Sym.Exp(eVariable);
PHI[ph] = 1.0 / ((vm - bm)) * Sym.Exp(eVariable);
}
//_kEOS_SRK = Sym.Exp(lnPHI[0] - lnPHI[1]);
_kEOS_SRK = PHI[0] / PHI[1];
_dphiDx = new Expression[NC];
_dphiDy = new Expression[NC];
DiffFunctional = (cache, v) => _kEOS_SRK.Diff(cache, v);
EvalFunctional = (cache) => Evaluate(cache);
}
