private void CommandAdd(string suffix)
{
try
{
Ion ion = null;
string[] parts = suffix.Split(' ');
if (parts.Length == 3)
{
ion = new Ion(parts[0], double.Parse(parts[1]), double.Parse(parts[2]));
ion = ionTable.Lookup(ion);
}
else if (parts.Length == 4)
{
ion = new Ion(parts[0], int.Parse(parts[1]), double.Parse(parts[2]), double.Parse(parts[3]), double.Parse(parts[4]));
}
if (ion is null)
{
throw new ArgumentException();
}
Console.WriteLine($"Adding {ion}");
ionSet.Add(ion);
}
catch
{
CommandArgumentError();
}
}
public static void Figure_EffectOfTemperature_Simple()
{
var ionTable = new IonTable();
double[] temps = ScottPlot.DataGen.Consecutive(50);
double[] ljps = new double[temps.Length];
for (int i = 0; i < temps.Length; i++)
{
Console.WriteLine($"Calculating for {temps[i]}C...");
var ionSet = new List <Ion> {
new Ion("Zn", 9, 0.0284), new Ion("K", 0, 3), new Ion("Cl", 18, 3.0568)
};
ljps[i] = Calculate.Ljp(ionTable.Lookup(ionSet), temps[i]).mV;
}
var plt = new ScottPlot.Plot(800, 600);
plt.PlotScatter(temps, ljps);
plt.Title("JLJP Screenshot Ion Set");
plt.YLabel("LJP (mV)");
plt.XLabel("Temperature (C)");
string filePath = System.IO.Path.GetFullPath("Figure_EffectOfTemperatureSimple.png");
plt.SaveFig(filePath);
Console.WriteLine($"Saved: {filePath}");
}
public Ion GetIon(string name, double c0 = 0, double cL = 0)
{
var ion = Table.Lookup(name);
ion.c0 = c0;
ion.cL = cL;
return(ion);
}
private void IonTableListboxSelectionChanged(object sender, SelectionChangedEventArgs e)
{
if (IonTableListbox is null || ionTable is null || IonTableListbox.SelectedIndex < 0)
{
return;
}
string selectedIonName = IonTableListbox.SelectedItem.ToString();
Ion ion = ionTable.Lookup(selectedIonName);
IonNameTextbox.Text = ion.name;
IonChargeTextbox.Text = ion.charge.ToString();
IonConductivityTextbox.Text = (ion.conductivity * 1e4).ToString("0.000");
IonC0Textbox.Text = "0";
IonCLTextbox.Text = "0";
Message($"Loaded Ion: {ion.nameWithCharge}", ion.ToString());
ValidateIon();
}
public void Test_LjpCalculationMatches_ExampleFromSourceCode()
{
/* From JLJP: https://github.com/swharden/JLJP/blob/2.0.0/src/Example.java */
Ion Zn = new Ion("Zn", MolsPerCubicMeter(9), MolsPerCubicMeter(0.0284));
Ion K = new Ion("K", MolsPerCubicMeter(0), MolsPerCubicMeter(3));
Ion Cl = new Ion("Cl", MolsPerCubicMeter(18), MolsPerCubicMeter(3.0568));
var ionSet = new List <Ion> {
Zn, K, Cl
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(-20.79558643, ljp.mV, 1e-6);
}
public void Test_LjpCalculationMatches_Harper004()
{
// ion set from Harper (1985) Table I
// https://pubs.acs.org/doi/pdf/10.1021/j100255a022
var ionSet = new List <Ion>
{
new Ion("Zn", .4, .0186),
new Ion("SO4", .4, .0186),
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(-8.1, ljp.mV, 0.5);
}
public void Test_LjpCalculationMatches_Harper003()
{
// ion set from Harper (1985) Table I
// https://pubs.acs.org/doi/pdf/10.1021/j100255a022
var ionSet = new List <Ion>
{
new Ion("Ca", .29, .00545),
new Ion("Cl", .29 * 2, .00545 * 2)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(-35, ljp.mV, 0.5);
}
public void Test_LjpCalculationMatches_ExampleFromScreenshot()
{
/* Test came from screenshot on original JLJP website */
var ionSet = new List <Ion>
{
new Ion("Zn", 9, 0.0284),
new Ion("K", 0, 3),
new Ion("Cl", 18, 3.0568)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(-20.79558643, ljp.mV, 1e-6);
}
public void Test_LjpCalculationMatches_NgAndBarry001()
{
/* LJP for this test came from Ng and Barry (1994) Table 2 */
// 50 mM NaCl : 50 mM KCl
var ionSet = new List <Ion>
{
new Ion("Na", 50, 0),
new Ion("K", 0, 50),
new Ion("Cl", 50, 50)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(-4.3, ljp.mV, 0.5);
}
public void Test_LjpCalculationMatches_JPWin002()
{
// ion set shown in JPCalcWin manual (page 10)
// https://tinyurl.com/wk7otn7
var ionSet = new List <Ion>
{
new Ion("Cs", 145, 0),
new Ion("Na", 0, 145),
new Ion("F", 125, 0),
new Ion("Cl", 20, 145)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(+8.71, ljp.mV, 0.5);
}
public void Test_LjpCalculationMatches_NgAndBarry005()
{
/* LJP for this test came from Ng and Barry (1994) Table 2 */
// 100 CaCl2 : 100 MgCl2
// Ca (100), Cl (200) : Mg (100) Cl (200)
var ionSet = new List <Ion>
{
new Ion("Ca", 100, 0),
new Ion("Mg", 0, 100),
new Ion("Cl", 200, 200)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(+0.6, ljp.mV, 0.5);
}
public void Test_LjpCalculationMatches_NgAndBarry007()
{
/* LJP for this test came from Ng and Barry (1994) Table 2 */
// 50 CaCl2 + 50 MgCl2 : 100 LiCl
// Ca (50), Cl (200), Mg (50) : Li (100), Cl (100)
var ionSet = new List <Ion>
{
new Ion("Ca", 50, 0),
new Ion("Cl", 200, 100),
new Ion("Mg", 50, 0),
new Ion("Li", 0, 100)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(-8.2, ljp.mV, 0.5);
}
public void Test_LjpCalculationMatches_NgAndBarry006()
{
/* LJP for this test came from Ng and Barry (1994) Table 2 */
// 100 KCl + 2 CaCl2 : 100 LiCl + 2 CaCl2
// K (100), Cl (104), Ca (2) : Li (100), Cl (104), Ca (2)
var ionSet = new List <Ion>
{
new Ion("Ca", 2, 2),
new Ion("K", 100, 0),
new Ion("Li", 0, 100),
new Ion("Cl", 104, 104)
};
var ionTable = new IonTable();
ionSet = ionTable.Lookup(ionSet);
var ljp = Calculate.Ljp(ionSet);
Assert.AreEqual(+6.4, ljp.mV, 0.5);
}
public static void Figure_EffectOfTemperature_SeveralSets()
{
/* this study calculates one of several known ionSets at every temperature between 0C and 50C */
var ionTable = new IonTable();
double[] temps = ScottPlot.DataGen.Consecutive(50);
double[] jljpResults = new double[temps.Length];
double[] ngAndBarryResults = new double[temps.Length];
double[] HarperResults = new double[temps.Length];
double[] jpWinResults = new double[temps.Length];
List <Ion> ionSet;
for (int i = 0; i < temps.Length; i++)
{
Console.WriteLine($"Calculating for {temps[i]}C...");
// see LjpCalculationTests.cs for ion set citations
// create a new ion set for each iteration to prevent modifications due to solving from carrying to the next solve
ionSet = new List <Ion> {
new Ion("Zn", 9, 0.0284), new Ion("K", 0, 3), new Ion("Cl", 18, 3.0568)
};
jljpResults[i] = Calculate.Ljp(ionTable.Lookup(ionSet), temps[i]).mV;
ionSet = new List <Ion> {
new Ion("Ca", 2, 2), new Ion("K", 100, 0), new Ion("Li", 0, 100), new Ion("Cl", 104, 104)
};
ngAndBarryResults[i] = Calculate.Ljp(ionTable.Lookup(ionSet), temps[i]).mV;
ionSet = new List <Ion> {
new Ion("Ca", .29, .00545), new Ion("Cl", .29 * 2, .00545 * 2)
};
HarperResults[i] = Calculate.Ljp(ionTable.Lookup(ionSet), temps[i]).mV;
ionSet = new List <Ion> {
new Ion("Na", 10, 145), new Ion("Cl", 10, 145), new Ion("Cs", 135, 0), new Ion("F", 135, 0)
};
jpWinResults[i] = Calculate.Ljp(ionTable.Lookup(ionSet), temps[i]).mV;
}
var mplt = new ScottPlot.MultiPlot(800, 600, 2, 2);
mplt.subplots[0].PlotScatter(temps, jljpResults);
mplt.subplots[0].Title("JLJP screenshot");
mplt.subplots[1].PlotScatter(temps, ngAndBarryResults);
mplt.subplots[1].Title("Ng and Barry (1994)");
mplt.subplots[2].PlotScatter(temps, HarperResults);
mplt.subplots[2].Title("Harper (1985)");
mplt.subplots[3].PlotScatter(temps, jpWinResults);
mplt.subplots[3].Title("JPWin screenshot");
for (int i = 0; i < 4; i++)
{
mplt.subplots[i].YLabel("LJP (mV)");
mplt.subplots[i].XLabel("Temperature (C)");
}
string filePath = System.IO.Path.GetFullPath("Figure_EffectOfTemperature.png");
mplt.SaveFig(filePath);
Console.WriteLine($"Saved: {filePath}");
}