/// <summary>
/// Binary phase diagram constructor.
/// </summary>
/// <param name="system">Binary system to calphad</param>
public BinaryPhaseDiagram(IBinarySystem system)
{
this.system = system;
// Расчет коэффициентов c0 и с1 в приближении модели субрегулярных растворов
this.c0 = -2 * (system.leftElement.dG(system.azeotrope.temperature)
/ system.azeotrope.coordinate)
- system.rightElement.dG(system.azeotrope.temperature)
* (1 - 2 * system.azeotrope.coordinate)
/ (Math.Pow((1 - system.azeotrope.coordinate), 2));
this.c1 = system.leftElement.dG(system.azeotrope.temperature)
/ Math.Pow(system.azeotrope.coordinate, 2)
- system.rightElement.dG(system.azeotrope.temperature)
/ Math.Pow((1 - system.azeotrope.coordinate), 2);
// Вспомогательные переменные
double a11 = (Math.Pow(system.experimentalPoint.solidusCoordinate, 2)
- Math.Pow(system.experimentalPoint.liquidusCoordinate, 2))
/ (Constants.R * system.experimentalPoint.temperature);
double a12 = (2 * Math.Pow(system.experimentalPoint.solidusCoordinate, 3)
- Math.Pow(system.experimentalPoint.solidusCoordinate, 2)
- Math.Pow(system.experimentalPoint.liquidusCoordinate, 2)
+ 2 * Math.Pow(system.experimentalPoint.liquidusCoordinate, 3))
/ (Constants.R * system.experimentalPoint.temperature);
double a21 = (2 * system.experimentalPoint.liquidusCoordinate
- 2 * system.experimentalPoint.solidusCoordinate)
/ (Constants.R * system.experimentalPoint.temperature);
double a22 = (2 * system.experimentalPoint.solidusCoordinate
- 3 * Math.Pow(system.experimentalPoint.solidusCoordinate, 2)
- 2 * system.experimentalPoint.liquidusCoordinate
+ 3 * Math.Pow(system.experimentalPoint.liquidusCoordinate, 2))
/ (Constants.R * system.experimentalPoint.temperature);
double b1 = Math.Log((1 - system.experimentalPoint.liquidusCoordinate)
/ (1 - system.experimentalPoint.solidusCoordinate))
+ (system.leftElement.dG(system.experimentalPoint.temperature)
- Math.Pow(system.experimentalPoint.liquidusCoordinate, 2) * (c0 - c1)
+ 2 * Math.Pow(system.experimentalPoint.liquidusCoordinate, 3) * c1)
/ (Constants.R * system.experimentalPoint.temperature);
double b2 = Math.Log((system.experimentalPoint.liquidusCoordinate
* (1 - system.experimentalPoint.solidusCoordinate))
/ (system.experimentalPoint.solidusCoordinate
* (1 - system.experimentalPoint.liquidusCoordinate)))
+ (system.rightElement.dG(system.experimentalPoint.temperature)
- system.leftElement.dG(system.experimentalPoint.temperature)
+ c0 + 2 * c1 * system.experimentalPoint.liquidusCoordinate
- 2 * c0 * system.experimentalPoint.liquidusCoordinate
- 3 * Math.Pow(system.experimentalPoint.liquidusCoordinate, 2) * c1)
/ (Constants.R * system.experimentalPoint.temperature);
// Расчет коэффициентов a0 и a1 в приближении модели субрегулярных растворов
this.a0 = (b1 * a22 - a12 * b2) / (a11 * a22 - a21 * a12);
this.a1 = (b2 * a11 - b1 * a21) / (a11 * a22 - a21 * a12);
}
private double minimalTemperature(IBinarySystem system)
{
double tMin = Double.PositiveInfinity;
if (system.azeotrope.temperature < tMin)
{
tMin = system.azeotrope.temperature;
}
if (system.leftElement.Ta_b < tMin)
{
tMin = system.leftElement.Ta_b;
}
if (system.rightElement.Ta_b < tMin)
{
tMin = system.rightElement.Ta_b;
}
return tMin;
}
private double maximalTemperature(IBinarySystem system)
{
double tMax = Double.NegativeInfinity;
if (system.azeotrope.temperature > tMax)
{
tMax = system.azeotrope.temperature;
}
if (system.leftElement.Ta_b > tMax)
{
tMax = system.leftElement.Ta_b;
}
if (system.rightElement.Ta_b > tMax)
{
tMax = system.rightElement.Ta_b;
}
return tMax;
}
private void comboBoxBPS_SelectedIndexChanged(object sender, EventArgs e)
{
IBinarySystem newSelectedSystem = systems[comboBoxBPS.SelectedIndex];
if (newSelectedSystem != selectedSystem)
{
selectedSystem = newSelectedSystem;
phaseDiagram = new BinaryPhaseDiagram(selectedSystem);
phaseDiagram.CalculateTX(TStep);
gibbsTempBar.Maximum = (int)maximalTemperature(selectedSystem);
gibbsTempBar.Minimum = (int)minimalTemperature(selectedSystem);
gibbsTempBar.Value = gibbsTempBar.Minimum;
gibbsTempLabel.Text = "T = " + gibbsTempBar.Value.ToString() + " K";
}
}
