// CO2 concentration
private double _CO2(WaterComponent temp, WaterComponent alk, double pH)
{
double pK1 = 6.579 - 0.013 * temp.Value + 1.869e-4 * Math.Pow(temp.Value, 2) - 1.133e-6 * Math.Pow(temp.Value, 3) + 5.953e-9 * Math.Pow(temp.Value, 4); // corr of pK1 to temp
double lg_CO2 = Math.Log10(alk.ValueMEq * mol) - (pH - pK1); // Henderson–Hasselbalch equation
double CO2 = Math.Pow(10, lg_CO2) * 44 * 1000; // CO2 in ppm, CO2 in conc = CO2 in feed
return(Math.Round(CO2, 2));
}
// pH of concentrate
private double _pH_c(double temp, WaterComponent alk, double pH, double CF, double C_CO2)
{
double A = 1 / (44.0 * 1000); // reciprocal of M_CO2 multiplied by conversion to mol/L
double pK1 = 6.579 - 0.013 * temp + 1.869e-4 * Math.Pow(temp, 2) - 1.133e-6 * Math.Pow(temp, 3) + 5.953e-9 * Math.Pow(temp, 4); // corr of pK1 to temp
double lg_CO2 = Math.Log10(C_CO2 * A);
double pH_c = pK1 + Math.Log10(CF * alk.ValueMEq * mol) - lg_CO2; // Henderson–Hasselbalch equation
return(Math.Round(pH_c, 2));
}
// IP SrSO4
private double _IP_SrSO4(WaterComponent strontium, WaterComponent sulfates, double IS, double CF = 1)
{
double lgKsp = 1 / (-0.0079 * ((Math.Log10(IS) + 2.8154 * 2.8154) - 0.152)); //DuPont 1992
double Ksp = Math.Pow(10, lgKsp);
// Gettins these to to mol/L; 0.5 is the same convertion factor to mol from eq
double IP = (CF * mol * sulfates.ValueMEq * sulfates.GetIonCharge()) * (CF * mol * strontium.ValueMEq * strontium.GetIonCharge());
//supersat is calculated as ratio of actual sol product to Ksp at this ionic strength with correction on temp
double supersat = (IP / (Ksp));
return(Math.Round(supersat, 2));
}
// LSI index
private double _LSI(double tds, WaterComponent temp, WaterComponent calcium, WaterComponent alk, WaterComponent pH, double CF = 1)
{
double tF = 9 * temp.Value / 5 + 32;
double pCa = -Math.Log10((calcium.ValueMEq * calcium.GetIonCharge() * mol * CF));
double pAlk = -Math.Log10((alk.ValueMEq * mol * CF));
//DuPont 1992, t here in F
double C = 3.26 * Math.Exp(-0.005 * tF) - 0.0116 * Math.Log10(Math.Pow(tds, 3)) + 0.0905 * Math.Log10(Math.Pow(tds, 2)) - 0.133 * Math.Log10(tds) - 0.02;
double LSI = pH.Value - (pCa + pAlk + C);
return(Math.Round(LSI, 2));
}
// S&DSI index
private double _StDI(double IS, WaterComponent temp, WaterComponent calcium, WaterComponent alk, WaterComponent pH, double CF = 1)
{
double K = 0;
if (IS <= 1.2)
{
double power = Math.Pow((Math.Log(IS) + 7.644), 2) / 102.6;
K = 2.022 * Math.Exp(power) - 0.0002 * Math.Pow(temp.Value, 2) + 0.00097 * temp.Value + 0.262;
}
else if (IS > 1.2)
{
K = -0.1 * IS - 0.0002 * Math.Pow(temp.Value, 2) + 0.00097 * temp.Value + 3.887;
}
double pCa = -Math.Log10((calcium.ValueMEq * calcium.GetIonCharge() * mol * CF));
double pAlk = -Math.Log10((alk.ValueMEq * mol * CF));
double StDI = pH.Value - (pCa + pAlk + K);
return(Math.Round(StDI, 2));
}
public WaterList()
{
// Cations
NH4 = new WaterComponent("Аммоній", WaterComponentType.Cation, 18.00, 1);
K = new WaterComponent("Калій", WaterComponentType.Cation, 39.10, 1);
Na = new WaterComponent("Натрій", WaterComponentType.Cation, 23.00, 1);
Ca = new WaterComponent("Кальцій", WaterComponentType.Cation, 20.04, 2);
Mg = new WaterComponent("Магній", WaterComponentType.Cation, 12.15, 2);
Fe2 = new WaterComponent("Залізо 2+", WaterComponentType.Cation, 27.93, 2);
Fe3 = new WaterComponent("Залізо 3+", WaterComponentType.Cation, 18.62, 3);
Mn = new WaterComponent("Марганець", WaterComponentType.Cation, 27.47, 2);
Sr = new WaterComponent("Стронцій", WaterComponentType.Cation, 43.81, 2);
Ba = new WaterComponent("Барій", WaterComponentType.Cation, 68.66, 2);
// Anions
HCO3 = new WaterComponent("Гідрокарбонати", WaterComponentType.Anion, 61.00, 1);
SO4 = new WaterComponent("Сульфати", WaterComponentType.Anion, 48.00, 2);
Cl = new WaterComponent("Хлориди", WaterComponentType.Anion, 35.45, 1);
NO2 = new WaterComponent("Нітрити", WaterComponentType.Anion, 46.00, 1);
NO3 = new WaterComponent("Нітрати", WaterComponentType.Anion, 62.00, 1);
F = new WaterComponent("Фториди", WaterComponentType.Anion, 19.00, 1);
SiO2 = new WaterComponent("Силікати", WaterComponentType.Anion, 0, 4);
PO4 = new WaterComponent("Фосфати", WaterComponentType.Anion, 31.66, 3);
// Others
pH = new WaterComponent("pH", WaterComponentType.Other);
Temperature = new WaterComponent("Температура", WaterComponentType.Other);
Oxidability = new WaterComponent("Окисність", WaterComponentType.Other);
Turbidity = new WaterComponent("Мутність", WaterComponentType.Other);
TSS = new WaterComponent("Зважені речовини", WaterComponentType.Other);
Odor = new WaterComponent("Запах", WaterComponentType.Other);
Colority = new WaterComponent("Кольоровість", WaterComponentType.Other);
Taste = new WaterComponent("Присмак", WaterComponentType.Other);
//Lists
_cations = new List <WaterComponent> {
NH4, K, Na, Ca, Mg, Fe2, Fe3, Mn, Sr, Ba
};
_anions = new List <WaterComponent> {
HCO3, SO4, Cl, NO2, NO3, F, SiO2, PO4
};
}
// IP CaSO4
private double _IP_CaSO4(WaterComponent calcium, WaterComponent sulfates, double IS, WaterComponent temp, double CF = 1)
{
// Ratio of solubility of monohydrate im mg/L @ given temp in deg C to solubility @ 25 deg C (611...) at which Ksp eq is calculated
double sol_corr_t = (-0.0602986 * (temp.Value * temp.Value) + 5.65504 * temp.Value + 507.332) / 611.021375;
if (sol_corr_t > 1)
{
sol_corr_t = 1;
}
// double Ksp = 8.365e-5 + 2.101e-3 * IS - 7.09e-4 * IS * IS + 3.019e-4 * Math.pow(IS,3) - 6.969e-5 * Math.pow(IS,4);
double lgKsp = 1 / (-0.022 * ((Math.Log10(IS) + 2.2954 * 2.2954)) - 0.2478); //DuPont 1992
double Ksp = Math.Pow(10, lgKsp);
// Gettins these to to mol/L; 0.5 is the same convertion factor to mol from eq
double IP = (CF * mol * sulfates.ValueMEq * sulfates.GetIonCharge()) * (CF * mol * calcium.ValueMEq * calcium.GetIonCharge());
//supersat is calculated as ratio of actual sol product to Ksp at this ionic strength with correction on temp
double supersat = (sol_corr_t * IP / (Ksp));
return(Math.Round(supersat, 2));
}
// Acid dose
private double _pHCorrectionAcidDose(ProjectBase.EnumpHCorrection acid, double pH_adj, WaterComponent alk, WaterComponent pH, WaterComponent temp, double C_CO2)
{
if (acid == ProjectBase.EnumpHCorrection.None)
{
return(0);
}
double C_coef = 1;
double dose = 0;
switch (acid)
{
case ProjectBase.EnumpHCorrection.HCl:
// alk_coef = 1.37;
C_coef = 1.21;
break;
case ProjectBase.EnumpHCorrection.H2SO4:
//alk_coef = 1.02;
C_coef = 0.9;
break;
default:
// alk_coef = 0;
C_coef = 1;
break;
}
if (pH_adj < pH.Value)
{
double pK1 = 6.579 - 0.013 * temp.Value + 1.869e-4 * Math.Pow(temp.Value, 2) - 1.133e-6 * Math.Pow(temp.Value, 3) + 5.953e-9 * Math.Pow(temp.Value, 4);
double alk_to_CO2 = Math.Exp((pH_adj - pK1) / 0.4275);
double A = C_CO2 * alk_to_CO2 - (alk.ValueMEq * 50);
dose = (A) / (-1 * (C_coef * alk_to_CO2));
}
return(Math.Round(dose, 2));
}
