private SubstanceFormula ExtractFormula(string aLine, string[] separatorsStr3, string[] separatorsStr4)
{
string tmpStr;
string elementStr;
int elementCount;
substanceFormula = new SubstanceFormula();
string[] subStrs = aLine.Trim().Split(separatorsStr3, StringSplitOptions.RemoveEmptyEntries);
subStrs = subStrs[0].Trim().Split(separatorsStr4, StringSplitOptions.RemoveEmptyEntries);
for (int i = 0; i < subStrs.Length; i++)
{
if (!char.IsDigit(subStrs[i][0]))
{
elementStr = subStrs[i];
elementCount = 1;
i++;
if (i < subStrs.Length && char.IsDigit(subStrs[i][0]))
{
tmpStr = subStrs[i];
elementCount = int.Parse(tmpStr);
}
substanceFormula.AddElement(elementStr, elementCount);
}
}
return(substanceFormula);
}
private SubstanceFormula ExtractSubstanceFormula(string lineTemp)
{
string elementStr;
string tmpStr;
int elementCount;
string[] separatorsS = { "<sub>", "</sub>" };
string[] separator1 = { "</td>" };
string[] subStrs = lineTemp.Trim().Split(separatorsS, StringSplitOptions.RemoveEmptyEntries);
SubstanceFormula substanceFormula = new SubstanceFormula();
//sb = new StringBuilder();
for (int i = 0; i < subStrs.Length - 1; i++)
{
//sb.Append(subStrs[i]);
if (!char.IsDigit(subStrs[i][0]))
{
elementStr = subStrs[i];
i++;
if (char.IsDigit(subStrs[i][0]))
{
//sb.Append(subStrs[i]);
tmpStr = subStrs[i];
if (char.IsDigit(subStrs[i + 1][0]))
{
i++;
tmpStr += subStrs[i];
//sb.Append(subStrs[i]);
}
elementCount = int.Parse(tmpStr);
substanceFormula.AddElement(elementStr, elementCount);
}
}
}
if (!subStrs[subStrs.Length - 1].StartsWith("</td>"))
{
subStrs = subStrs[subStrs.Length - 1].Trim().Split(separator1, StringSplitOptions.RemoveEmptyEntries);
elementStr = subStrs[0];
substanceFormula.AddElement(elementStr, 1);
}
return(substanceFormula);
}
public double CalculateDiffusivity(double temperature, double pressure)
{
//air-water vapor diffusivity at 1 atm.
//diffusivity = -2.775e-6 + 4.479e-8*temperature + 1.656e-10 *temperature*temperature;
//this is from a website
double diffusivity = 0;
//if (gas.Name == "Air" && moisture.Name == "water") {
if (gas.IsAir && moisture.IsWater)
{
diffusivity = -2.775e-6 + 4.479e-8 * temperature + 1.656e-10 * temperature * temperature;
diffusivity = diffusivity * 1.013e5 / pressure;
}
else
{
double sumVolumeGas = 0;
if (molecularDiffusionVolumeTable.ContainsKey(gas.Formula.ToString()))
{
sumVolumeGas = molecularDiffusionVolumeTable[gas.Formula.ToString()];
}
else
{
SubstanceFormula gasFormula = gas.Formula;
string[] gasElements = gasFormula.Elements;
foreach (string element in gasElements)
{
sumVolumeGas += gasFormula.GetElementCount(element) * atomicDiffusionVolumeTable[element];
}
}
double sumVolumeMoisture = 0;
SubstanceFormula moistureFormula = moisture.Formula;
string[] moistureElements = moistureFormula.Elements;
foreach (string element in moistureElements)
{
sumVolumeMoisture += moistureFormula.GetElementCount(element) * atomicDiffusionVolumeTable[element];
}
double molarWeightTerm = Math.Pow((1.0 / gas.MolarWeight + 1.0 / moisture.MolarWeight), 0.5);
double sumVolumeTerm = Math.Pow((Math.Pow(sumVolumeGas, 1.0 / 3) + Math.Pow(sumVolumeMoisture, 1.0 / 3)), 2);
diffusivity = 0.01013 * Math.Pow(temperature, 1.75) * molarWeightTerm / (pressure * sumVolumeTerm);
}
return(diffusivity);
}
private void ExtractCoeffs()
{
FileStream fsRead = null;
try {
//char[] separator1 = { '>' };
//string[] separator1 = { "</td>" };
//char[] emptySeparator = { ' ' };
//char[] separators = { '>', '<' };
string[] separatorsStr1 = { "</td>" };
string[] separatorsStr2 = { "<i>", "</i>" };
//string[] subStrs;
//string formula;
string name;
string casRegestryNo;
double a, b, c, d = 1, e = 1;
double molarWeight, criticalRho, criticalT, criticalP, criticalV, criticalComp, accentricF;
molarWeight = criticalRho = criticalT = criticalP = criticalV = criticalComp = accentricF = -2147483D;
double minTemp = 1, maxTemp = 1;
//StringBuilder sb;
CriticalPropsAndAcentricFactor criticalProps;
Substance substance;
YawsGasCpCorrelation gasCpCorrelation;
YawsLiquidCpCorrelation liquidCpCorrelation;
YawsSolidCpCorrelation solidCpCorrelation;
YawsGasThermalConductivityCorrelation gasKCorrelation;
YawsLiquidThermalConductivityCorrelation liquidKCorrelation;
YawsGasViscosityCorrelation gasViscCorrelation;
YawsLiquidViscosityCorrelation liquidViscCorrelation;
YawsLiquidDensityCorrelation liquidDensityCorrelation;
YawsEvaporationHeatCorrelation evapHeatCorrelation;
YawsVaporPressureCorrelation vapPressureCorrelation;
YawsSurfaceTensionCorrelation surfaceTensionCorrelation;
YawsEnthalpyOfFormationCorrelation enthalpyOfFormationCorrelation;
substanceList = new ArrayList();
gasCpCorrList = new ArrayList();
liquidCpCorrList = new ArrayList();
solidCpCorrList = new ArrayList();
evapHeatCorrList = new ArrayList();
vapPressureCorrList = new ArrayList();
liquidDensityCorrList = new ArrayList();
gasKCorrList = new ArrayList();
liquidKCorrList = new ArrayList();
gasViscCorrList = new ArrayList();
liquidViscCorrList = new ArrayList();
surfaceTensionCorrList = new ArrayList();
enthalpyOfFormationCorrList = new ArrayList();
string line1, line2, lineTemp;
//string elementStr;
//string tmpStr;
//int elementCount;
int fileNo = 0;
int substanceNo = 0;
int counter;
int totalCounter = 0;
StreamReader reader;
foreach (object fullFileName in listBoxFiles.Items)
{
fileNo++;
counter = 0;
fsRead = new FileStream((string)fullFileName, FileMode.Open, FileAccess.Read);
reader = new StreamReader(fsRead);
line1 = reader.ReadLine();
while (!reader.EndOfStream && counter < 50)
{
line2 = reader.ReadLine();
name = "";
if (thermProp != ThermPropType.CriticalProp)
{
if (line1.Contains("<a border"))
{
counter++;
name = MainFormYaws.ExtractName(line2, separatorsStr1, separatorsStr2);
lineTemp = reader.ReadLine();
lineTemp = reader.ReadLine();
lineTemp = reader.ReadLine();
lineTemp = reader.ReadLine();
a = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
if (a == -2147483D)
{
continue;
}
lineTemp = reader.ReadLine();
b = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
c = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
if (thermProp == ThermPropType.GasCp || thermProp == ThermPropType.LiquidCp ||
thermProp == ThermPropType.VapPressure || thermProp == ThermPropType.LiquidDensity ||
thermProp == ThermPropType.LiquidDensity || thermProp == ThermPropType.LiquidVisc)
{
lineTemp = reader.ReadLine();
d = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
}
if (thermProp == ThermPropType.GasCp || thermProp == ThermPropType.VapPressure)
{
lineTemp = reader.ReadLine();
e = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
}
lineTemp = reader.ReadLine();
minTemp = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
maxTemp = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
if (thermProp == ThermPropType.GasCp)
{
gasCpCorrelation = new YawsGasCpCorrelation(name, a, b, c, d, e, minTemp, maxTemp);
gasCpCorrList.Add(gasCpCorrelation);
}
else if (thermProp == ThermPropType.LiquidCp)
{
liquidCpCorrelation = new YawsLiquidCpCorrelation(name, a, b, c, d, minTemp, maxTemp);
liquidCpCorrList.Add(liquidCpCorrelation);
}
else if (thermProp == ThermPropType.SolidCp)
{
solidCpCorrelation = new YawsSolidCpCorrelation(name, a, b, c, minTemp, maxTemp);
solidCpCorrList.Add(solidCpCorrelation);
}
else if (thermProp == ThermPropType.EvapHeat)
{
evapHeatCorrelation = new YawsEvaporationHeatCorrelation(name, a, b, c, minTemp, maxTemp);
evapHeatCorrList.Add(evapHeatCorrelation);
}
else if (thermProp == ThermPropType.VapPressure)
{
vapPressureCorrelation = new YawsVaporPressureCorrelation(name, a, b, c, d, e, minTemp, maxTemp);
vapPressureCorrList.Add(vapPressureCorrelation);
}
else if (thermProp == ThermPropType.LiquidDensity)
{
liquidDensityCorrelation = new YawsLiquidDensityCorrelation(name, a, b, c, d, minTemp, maxTemp);
liquidDensityCorrList.Add(liquidDensityCorrelation);
}
else if (thermProp == ThermPropType.GasVisc)
{
gasViscCorrelation = new YawsGasViscosityCorrelation(name, a, b, c, minTemp, maxTemp);
gasViscCorrList.Add(gasViscCorrelation);
}
else if (thermProp == ThermPropType.LiquidVisc)
{
liquidViscCorrelation = new YawsLiquidViscosityCorrelation(name, a, b, c, d, minTemp, maxTemp);
liquidViscCorrList.Add(liquidViscCorrelation);
}
else if (thermProp == ThermPropType.GasK)
{
gasKCorrelation = new YawsGasThermalConductivityCorrelation(name, a, b, c, minTemp, maxTemp);
gasKCorrList.Add(gasKCorrelation);
}
else if (thermProp == ThermPropType.LiquidK)
{
liquidKCorrelation = new YawsLiquidThermalConductivityCorrelation(name, a, b, c, minTemp, maxTemp);
liquidKCorrList.Add(liquidKCorrelation);
}
else if (thermProp == ThermPropType.SurfaceTension)
{
surfaceTensionCorrelation = new YawsSurfaceTensionCorrelation(name, a, b, c, minTemp, maxTemp);
surfaceTensionCorrList.Add(surfaceTensionCorrelation);
}
else if (thermProp == ThermPropType.EnthalpyOfFormation)
{
enthalpyOfFormationCorrelation = new YawsEnthalpyOfFormationCorrelation(name, a, b, c, minTemp, maxTemp);
enthalpyOfFormationCorrList.Add(enthalpyOfFormationCorrelation);
}
}
line1 = line2;
}
else
{
substanceNo = totalCounter + counter + 1;
if ((line1.StartsWith(substanceNo.ToString() + "</td><td align=") ||
//since there is a duplicate for No. 3976 this condition must be added to handle it
line1.StartsWith((substanceNo - 1).ToString() + "</td><td align=")) && counter < 50)
{
counter++;
name = MainFormYaws.ExtractName(line2, separatorsStr1, separatorsStr2);
lineTemp = reader.ReadLine();
//if (lineTemp.StartsWith(" ")) {
// casRegestryNo = "";
//}
//else {
// subStrs = lineTemp.Trim().Split(separatorsStr1, StringSplitOptions.RemoveEmptyEntries);
// casRegestryNo = subStrs[0].Trim();
//}
casRegestryNo = MainFormYaws.ExtractCasNo(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
substanceFormula = ExtractSubstanceFormula(lineTemp);
//for debugging use only
//formula = sb.ToString();
lineTemp = reader.ReadLine();
molarWeight = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
criticalT = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
criticalP = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
criticalV = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine(); //skip critical density since it can be obtained from critical volume and molar weight
//subStrs = lineTemp.Trim().Split(separators);
//criticalRho = double.Parse(subStrs[0]);
lineTemp = reader.ReadLine();
criticalComp = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
lineTemp = reader.ReadLine();
accentricF = MainFormYaws.ExtractValue(lineTemp, separatorsStr1);
criticalProps = new CriticalPropsAndAcentricFactor(criticalT, criticalP, criticalV, criticalComp, accentricF);
substance = new Substance(name, substanceType, casRegestryNo, substanceFormula, molarWeight, criticalProps);
substanceList.Add(substance);
}
line1 = line2;
}
}
totalCounter = totalCounter + counter;
reader.Close();
fsRead.Close();
}
}
catch (Exception ex) {
Console.WriteLine("The process failed: {0}", ex.ToString());
}
finally {
if (fsRead != null)
{
fsRead.Close();
}
}
if (thermProp == ThermPropType.CriticalProp)
{
PersistSubstances();
}
else
{
PersistProp(thermProp);
UnpersistProp(thermProp);
}
}
private SubstanceFormula ExtractFormula(string aLine, string[] separatorsStr3, string[] separatorsStr4)
{
string tmpStr;
string elementStr;
int elementCount;
SubstanceFormula substanceFormula = new SubstanceFormula();
string[] subStrs = aLine.Trim().Split(separatorsStr3, StringSplitOptions.RemoveEmptyEntries);
subStrs = subStrs[0].Trim().Split(separatorsStr4, StringSplitOptions.RemoveEmptyEntries);
for (int i = 0; i < subStrs.Length; i++)
{
if (!char.IsDigit(subStrs[i][0]))
{
elementStr = subStrs[i];
elementCount = 1;
tmpStr = elementStr;
if (tmpStr.Contains("class=BorderHelper>"))
{
string[] separatorsStr = { "class=BorderHelper>" };
string[] subSubStrs = tmpStr.Trim().Split(separatorsStr, StringSplitOptions.RemoveEmptyEntries);
tmpStr = subSubStrs[0];
}
if (tmpStr.Length == 1 || tmpStr.Length == 2 && char.IsLower(tmpStr[1]))
{
elementStr = tmpStr;
}
else if (!char.IsDigit(tmpStr[0]))
{
if (tmpStr.Length == 2)
{
elementStr = tmpStr.Substring(0, 1);
substanceFormula.AddElement(elementStr, 1);
elementStr = tmpStr.Substring(1, 1);
}
else
{
for (int j = 0; j < tmpStr.Length; j++)
{
if (j == (tmpStr.Length - 1) && char.IsUpper(tmpStr[j]))
{
elementStr = tmpStr.Substring(j, 1);
continue;
}
else if (j == (tmpStr.Length - 2) && char.IsLower(tmpStr[tmpStr.Length - 1]))
{
elementStr = tmpStr.Substring(j, 2);
j++;
continue;
}
if (char.IsUpper(tmpStr[j]))
{
if (char.IsUpper(tmpStr[j + 1]))
{
elementStr = tmpStr.Substring(j, 1);
}
else if (char.IsLower(tmpStr[j + 1]))
{
elementStr = tmpStr.Substring(j, 2);
j++;
}
}
if (j < tmpStr.Length - 1)
{
substanceFormula.AddElement(elementStr, 1);
}
}
}
}
i++;
if (i < subStrs.Length && char.IsDigit(subStrs[i][0]))
{
tmpStr = subStrs[i];
elementCount = int.Parse(tmpStr);
}
substanceFormula.AddElement(elementStr, elementCount);
}
}
return(substanceFormula);
}
private void ExtractCoeffs()
{
FileStream fsRead = null;
try {
char[] separator1 = { '>' };
char[] separator2 = { '<' };
char[] emptySeparator = { ' ' };
char[] separators = { '>', '<' };
string[] subStrs;
string[] subSubStrs;
string formula;
string name;
string htmlTaggedName;
string casRegestryNo;
double a, b, c, d = 1, e = 1, f, g, bp = 1;
double molarWeight, freezingPoint, boilingPoint, criticalT, criticalP, criticalV, criticalComp, accentricF;
molarWeight = freezingPoint = boilingPoint = criticalT = criticalP = criticalV = criticalComp = accentricF = -2147483D;
double minTemp = 1, maxTemp = 1;
StringBuilder sb;
CriticalPropsAndAccentricFactor criticalProps;
Substance substance;
YawsGasCpCorrelation gasCpCorrelation;
YawsLiquidCpCorrelation liquidCpCorrelation;
YawsSolidCpCorrelation solidCpCorrelation;
YawsGasThermalConductivityCorrelation gasKCorrelation;
YawsLiquidThermalConductivityCorrelation liquidKCorrelation;
YawsGasViscosityCorrelation gasViscCorrelation;
YawsLiquidViscosityCorrelation liquidViscCorrelation;
YawsLiquidDensityCorrelation liquidDensityCorrelation;
YawsEvaporationHeatCorrelation evapHeatCorrelation;
YawsVaporPressureCorrelation vapPressureCorrelation;
YawsSurfaceTensionCorrelation surfaceTensionCorrelation;
YawsEnthalpyOfFormationCorrelation enthalpyOfFormationCorrelation;
string line1, line2, line3, line4, line5, line6, line7, line8, line9, line10, line11, lineTemp;
string tmpStrOld = "";
string tmpStr;
int number;
StreamReader reader;
foreach (object fullFileName in listBoxFiles.Items)
{
fsRead = new FileStream((string)fullFileName, FileMode.Open, FileAccess.Read);
reader = new StreamReader(fsRead);
line1 = reader.ReadLine();
while (!reader.EndOfStream)
{
line2 = reader.ReadLine();
if (line1.Contains("<TD class=BorderHelper>") && line2.Contains("<TD class=BorderHelper noWrap>"))
{
substanceFormula = new SubstanceFormula();
subStrs = line1.Split(separator1);
sb = new StringBuilder();
for (int i = 1; i < subStrs.Length - 1; i++)
{
subSubStrs = subStrs[i].Split(separator2);
sb.Append(subSubStrs[0]);
tmpStr = subSubStrs[0];
if (char.IsDigit(tmpStr[0]))
{
number = int.Parse(tmpStr);
substanceFormula.AddElement(tmpStrOld, number);
}
else
{
if (!tmpStr.Equals(" "))
{
tmpStr = Parse(tmpStr.TrimEnd());
}
if (i == (subStrs.Length - 2) && !tmpStr.Equals(" ") && !tmpStr.Equals(""))
{
substanceFormula.AddElement(tmpStr, 1);
}
}
tmpStrOld = tmpStr;
}
formula = sb.ToString();
if (!line2.Contains("</TD>"))
{
lineTemp = reader.ReadLine();
lineTemp = lineTemp.TrimStart();
if (!lineTemp.StartsWith("</TD>"))
{
line2 = line2 + " " + lineTemp;
}
else
{
line2 = line2 + lineTemp;
}
}
htmlTaggedName = line2;
if (!(line2.Contains("<I>") || line2.Contains("</SPAN>")))
{
subStrs = line2.Split(separators);
name = subStrs[2];
}
else
{
subStrs = line2.Split(separators);
sb = new StringBuilder();
for (int i = 2; i < subStrs.Length; i++)
{
if (!(subStrs[i].Equals("") || subStrs[i].Equals("I") || subStrs[i].Equals("/I") ||
subStrs[i].Equals("SPAN class=Greek") || subStrs[i].Equals("/SPAN") ||
subStrs[i].Equals("/TD")))
{
sb.Append(subStrs[i]);
}
}
name = sb.ToString();
}
name = name.TrimEnd(emptySeparator);
line3 = reader.ReadLine();
subStrs = line3.Split(separators);
if (subStrs[2].Contains("&"))
{
casRegestryNo = "";
}
else
{
casRegestryNo = subStrs[2];
}
line4 = reader.ReadLine();
subStrs = line4.Split(separators);
a = double.Parse(subStrs[2]);
if (thermProp == ThermProp.CriticalProp)
{
molarWeight = a;
}
line5 = reader.ReadLine();
subStrs = line5.Split(separators);
if (subStrs[2].Contains("&"))
{
b = -2147483D;
}
else
{
b = double.Parse(subStrs[2]);
}
if (thermProp == ThermProp.CriticalProp)
{
freezingPoint = b;
}
line6 = reader.ReadLine();
subStrs = line6.Split(separators);
if (subStrs[2].Contains("&"))
{
c = -2147483D;;
}
else
{
c = double.Parse(subStrs[2]);
}
if (thermProp == ThermProp.CriticalProp)
{
boilingPoint = c;
}
line7 = reader.ReadLine();
subStrs = line7.Split(separators);
if (subStrs[2].Contains("&"))
{
d = -2147483D;
}
else
{
d = double.Parse(subStrs[2]);
}
if (thermProp == ThermProp.SolidCp || thermProp == ThermProp.EvapHeat ||
thermProp == ThermProp.GasVisc || thermProp == ThermProp.GasK ||
thermProp == ThermProp.LiquidK || thermProp == ThermProp.SurfaceTension ||
thermProp == ThermProp.EnthalpyOfFormation)
{
minTemp = d;
}
else if (thermProp == ThermProp.CriticalProp)
{
criticalT = d;
}
line8 = reader.ReadLine();
subStrs = line8.Split(separators);
if (subStrs[2].Contains("&"))
{
e = -2147483D;
}
else
{
e = double.Parse(subStrs[2]);
}
if (thermProp == ThermProp.SolidCp || thermProp == ThermProp.EvapHeat ||
thermProp == ThermProp.GasVisc || thermProp == ThermProp.GasK ||
thermProp == ThermProp.LiquidK || thermProp == ThermProp.SurfaceTension ||
thermProp == ThermProp.EnthalpyOfFormation)
{
maxTemp = e;
}
else if (thermProp == ThermProp.LiquidCp || thermProp == ThermProp.LiquidDensity || thermProp == ThermProp.LiquidVisc)
{
minTemp = e;
}
else if (thermProp == ThermProp.CriticalProp)
{
criticalP = 1.0e5 * e;//convert from bar to Pa.sec
}
if (thermProp == ThermProp.EvapHeat || thermProp == ThermProp.CriticalProp ||
thermProp == ThermProp.GasCp || thermProp == ThermProp.VapPressure ||
thermProp == ThermProp.LiquidCp || thermProp == ThermProp.LiquidDensity ||
thermProp == ThermProp.LiquidVisc)
{
line9 = reader.ReadLine();
subStrs = line9.Split(separators);
if (!subStrs[2].Contains("&"))
{
f = double.Parse(subStrs[2]);
}
else
{
f = -2147483D;
}
if (thermProp == ThermProp.EvapHeat)
{
bp = f;
}
else if (thermProp == ThermProp.CriticalProp)
{
criticalV = f * 1.0e-6; //convert from cm3/mol to m3/mol
line9 = reader.ReadLine(); //skip critical density
}
else if (thermProp == ThermProp.GasCp || thermProp == ThermProp.VapPressure)
{
minTemp = f;
}
else if (thermProp == ThermProp.LiquidCp || thermProp == ThermProp.LiquidDensity || thermProp == ThermProp.LiquidVisc)
{
maxTemp = f;
}
}
if (thermProp == ThermProp.CriticalProp || thermProp == ThermProp.GasCp ||
thermProp == ThermProp.VapPressure)
{
line10 = reader.ReadLine();
subStrs = line10.Split(separators);
if (!subStrs[2].Contains("&"))
{
g = double.Parse(subStrs[2]);
}
else
{
g = -2147483D;
}
if (thermProp == ThermProp.CriticalProp)
{
criticalComp = g;
}
else if (thermProp == ThermProp.GasCp || thermProp == ThermProp.VapPressure)
{
maxTemp = g;
}
}
if (thermProp == ThermProp.CriticalProp)
{
line11 = reader.ReadLine();
subStrs = line11.Split(separators);
if (!subStrs[2].Contains("&"))
{
accentricF = double.Parse(subStrs[2]);
}
else
{
accentricF = -2147483D;
}
}
if (thermProp == ThermProp.CriticalProp)
{
criticalProps = new CriticalPropsAndAccentricFactor(freezingPoint, boilingPoint, criticalT, criticalP, criticalV, criticalComp, accentricF);
substance = new Substance(name, htmlTaggedName, substanceType, casRegestryNo, substanceFormula, molarWeight, criticalProps);
substanceList.Add(substance);
}
else if (thermProp == ThermProp.GasCp)
{
gasCpCorrelation = new YawsGasCpCorrelation(name, a, b, c, d, e, minTemp, maxTemp);
gasCpCorrList.Add(gasCpCorrelation);
}
else if (thermProp == ThermProp.LiquidCp)
{
liquidCpCorrelation = new YawsLiquidCpCorrelation(name, a, b, c, d, minTemp, maxTemp);
liquidCpCorrList.Add(liquidCpCorrelation);
}
else if (thermProp == ThermProp.SolidCp)
{
solidCpCorrelation = new YawsSolidCpCorrelation(name, a, b, c, minTemp, maxTemp);
solidCpCorrList.Add(solidCpCorrelation);
}
else if (thermProp == ThermProp.EvapHeat)
{
evapHeatCorrelation = new YawsEvaporationHeatCorrelation(name, a, b, c, minTemp, maxTemp);
evapHeatCorrList.Add(evapHeatCorrelation);
}
else if (thermProp == ThermProp.VapPressure)
{
vapPressureCorrelation = new YawsVaporPressureCorrelation(name, a, b, c, d, e, minTemp, maxTemp);
vapPressureCorrList.Add(vapPressureCorrelation);
}
else if (thermProp == ThermProp.LiquidDensity)
{
liquidDensityCorrelation = new YawsLiquidDensityCorrelation(name, a, b, c, d, minTemp, maxTemp);
liquidDensityCorrList.Add(liquidDensityCorrelation);
}
else if (thermProp == ThermProp.GasVisc)
{
gasViscCorrelation = new YawsGasViscosityCorrelation(name, a, b, c, minTemp, maxTemp);
gasViscCorrList.Add(gasViscCorrelation);
}
else if (thermProp == ThermProp.LiquidVisc)
{
liquidViscCorrelation = new YawsLiquidViscosityCorrelation(name, a, b, c, d, minTemp, maxTemp);
liquidViscCorrList.Add(liquidViscCorrelation);
}
else if (thermProp == ThermProp.GasK)
{
gasKCorrelation = new YawsGasThermalConductivityCorrelation(name, a, b, c, minTemp, maxTemp);
gasKCorrList.Add(gasKCorrelation);
}
else if (thermProp == ThermProp.LiquidK)
{
liquidKCorrelation = new YawsLiquidThermalConductivityCorrelation(name, a, b, c, minTemp, maxTemp);
liquidKCorrList.Add(liquidKCorrelation);
}
else if (thermProp == ThermProp.SurfaceTension)
{
surfaceTensionCorrelation = new YawsSurfaceTensionCorrelation(name, a, b, c, minTemp, maxTemp);
surfaceTensionCorrList.Add(surfaceTensionCorrelation);
}
else if (thermProp == ThermProp.EnthalpyOfFormation)
{
enthalpyOfFormationCorrelation = new YawsEnthalpyOfFormationCorrelation(name, a, b, c, minTemp, maxTemp);
enthalpyOfFormationCorrList.Add(enthalpyOfFormationCorrelation);
}
}
line1 = line2;
}
reader.Close();
fsRead.Close();
}
}
catch (Exception ex) {
Console.WriteLine("The process failed: {0}", ex.ToString());
}
finally {
if (fsRead != null)
{
fsRead.Close();
}
}
if (substanceType == SubstanceType.Inorganic && thermProp == ThermProp.CriticalProp)
{
PersistSubstances();
}
else if (substanceType == SubstanceType.Organic && thermProp == ThermProp.EnthalpyOfFormation)
{
PersistProp(thermProp);
UnpersistProp(thermProp);
}
else if (substanceType == SubstanceType.Inorganic)
{
PersistProp(thermProp);
UnpersistProp(thermProp);
}
}
private SubstanceFormula ExtractSubstanceFormula(string lineTemp)
{
string elementStr;
string tmpStr;
int elementCount;
string[] separators = { "<sub>", "</sub>" };
string[] subStrs = lineTemp.Trim().Split(separators, StringSplitOptions.RemoveEmptyEntries);
SubstanceFormula substanceFormula = new SubstanceFormula();
for (int i = 0; i < subStrs.Length - 1; i++)
{
if (!char.IsDigit(subStrs[i][0]))
{
elementStr = subStrs[i];
tmpStr = elementStr;
if (tmpStr.Length == 1 || tmpStr.Length == 2 && char.IsLower(tmpStr[1]))
{
elementStr = tmpStr;
}
else if (!char.IsDigit(tmpStr[0]))
{
if (tmpStr.Length == 2)
{
elementStr = tmpStr.Substring(0, 1);
substanceFormula.AddElement(elementStr, 1);
elementStr = tmpStr.Substring(1, 1);
}
else
{
for (int j = 0; j < tmpStr.Length; j++)
{
if (j == (tmpStr.Length - 1) && char.IsUpper(tmpStr[j]))
{
elementStr = tmpStr.Substring(j, 1);
continue;
}
else if (j == (tmpStr.Length - 2) && char.IsLower(tmpStr[tmpStr.Length - 1]))
{
elementStr = tmpStr.Substring(j, 2);
j++;
continue;
}
if (char.IsUpper(tmpStr[j]))
{
if (char.IsUpper(tmpStr[j + 1]))
{
elementStr = tmpStr.Substring(j, 1);
}
else if (char.IsLower(tmpStr[j + 1]))
{
elementStr = tmpStr.Substring(j, 2);
j++;
}
}
if (j < tmpStr.Length - 1)
{
substanceFormula.AddElement(elementStr, 1);
}
}
}
}
i++;
if (char.IsDigit(subStrs[i][0]))
{
tmpStr = subStrs[i];
if (char.IsDigit(subStrs[i + 1][0]))
{
i++;
tmpStr += subStrs[i];
}
elementCount = int.Parse(tmpStr);
substanceFormula.AddElement(elementStr, elementCount);
}
}
}
if (!subStrs[subStrs.Length - 1].StartsWith("</td>"))
{
string[] separator1 = { "</td>" };
subStrs = subStrs[subStrs.Length - 1].Trim().Split(separator1, StringSplitOptions.RemoveEmptyEntries);
elementStr = subStrs[0];
substanceFormula.AddElement(elementStr, 1);
}
return(substanceFormula);
}
private void Solve()
{
double totalEenthalpyOfReactantInFuelInlet = 0;
double moleFractionCarbon = 0;
double moleFractionHydrogen = 0;
double moleFractionSulfur = 0;
double moleFractionOxygen = 0;
//double massAsh = 0;
double moleFractionCarbonDioxide = 0;
double moleFractionNitrogen = 0; //mole fraction of nitrogen in original gas fuel
MaterialComponents components = fuelInlet.Components;
if (fuelInlet is GenericFuelStream)
{
for (int i = 0; i < components.Count; i++)
{
MaterialComponent component = components[i];
Substance mySubstance = component.Substance;
//myMassFraction = component.MassFraction.Value;
double myMoleFraction = component.MoleFraction.Value;
if (mySubstance == carbon)
{
moleFractionCarbon = myMoleFraction;
}
else if (mySubstance == hydrogen)
{
moleFractionHydrogen = myMoleFraction;
}
else if (mySubstance == oxygen)
{
moleFractionOxygen = myMoleFraction;
}
else if (mySubstance == sulfur)
{
moleFractionSulfur = myMoleFraction;
}
//else if (component.Substance == ash) {
// massAsh = myMassFraction;
//}
}
}
else if (fuelInlet is DetailedFuelStream)
{
totalEenthalpyOfReactantInFuelInlet = 0;
moleFractionCarbon = 0;
moleFractionHydrogen = 0;
moleFractionOxygen = 0;
moleFractionSulfur = 0;
double t = fuelInlet.Temperature.Value;
for (int i = 0; i < components.Count; i++)
{
MaterialComponent component = components[i];
Substance mySubstance = component.Substance;
double myMoleFraction = component.MoleFraction.Value;
if (mySubstance == carbonDioxide)
{
moleFractionCarbonDioxide = myMoleFraction;
}
else if (mySubstance == nitrogen)
{
moleFractionNitrogen = myMoleFraction;
}
else
{
totalEenthalpyOfReactantInFuelInlet += myMoleFraction * propCalculator.CalculateEnthalpyOfFormation(t, mySubstance);
SubstanceFormula formula = mySubstance.Formula;
string[] elements = formula.Elements;
foreach (string element in elements)
{
int elementCount = formula.GetElementCount(element);
if (element == "C")
{
moleFractionCarbon += elementCount * myMoleFraction;
}
else if (element == "H")
{
moleFractionHydrogen += elementCount * myMoleFraction;
}
else if (element == "O")
{
moleFractionOxygen += elementCount * myMoleFraction;
}
else if (element == "S")
{
moleFractionSulfur += elementCount * myMoleFraction;
}
}
}
}
}
moleFractionHydrogen = 0.5 * moleFractionHydrogen; //convert from H to H2
moleFractionOxygen = 0.5 * moleFractionOxygen; //convert from O to O2
//multiply 0.5 for moleFractionHydrogen because 1 mole of H2 only needs 0.5 mole of O2
double moleFractionOxygenNeeded = moleFractionCarbon + 0.5 * moleFractionHydrogen + moleFractionSulfur - moleFractionOxygen;
double exactDryAirMassNeeded = moleFractionOxygenNeeded / OXYGEN_MOLE_FRACTION_IN_AIR * air.MolarWeight;
double excessAirValue = excessAir.HasValue ? excessAir.Value / 100 : 0;
double excessDryAirNeeded = exactDryAirMassNeeded * excessAirValue;
double dryAirMassNeeded = exactDryAirMassNeeded + excessDryAirNeeded;
double moistureMassCarriedByInletAir = dryAirMassNeeded * airInlet.Humidity.Value;
double airMassNeeded = dryAirMassNeeded + moistureMassCarriedByInletAir;
double moitureGeneratedByReaction = moleFractionHydrogen * water.MolarWeight; //since 1 mole of H2 generates 1 mole of water
double totalMoistureInFlueGas = moitureGeneratedByReaction + moistureMassCarriedByInletAir;
double flueGasTotal = airMassNeeded + fuelInlet.Components.MolarWeight;
double dryFlueGas = flueGasTotal - totalMoistureInFlueGas;
double flueGasMoistureContentDryBase = totalMoistureInFlueGas / dryFlueGas;
CompositeSubstance flueGas = CreateDryFlueGasSubstance(moleFractionCarbon, moleFractionSulfur, moleFractionCarbonDioxide, moleFractionNitrogen, moleFractionOxygenNeeded, dryAirMassNeeded, dryFlueGas, excessAirValue);
DryingGasComponents flueGasComponents = CreateDryingGasComponents(flueGasMoistureContentDryBase, flueGas);
flueGasOutlet.GasComponents = flueGasComponents;
double fuelMoleFlowRate = fuelInlet.MoleFlowRate.Value;
if (excessAir.HasValue)
{
Calculate(flueGasOutlet.Humidity, flueGasMoistureContentDryBase);
if (fuelInlet.MoleFlowRate.HasValue)
{
Calculate(airInlet.MassFlowRateDryBase, dryAirMassNeeded * fuelMoleFlowRate);
Calculate(flueGasOutlet.MassFlowRate, flueGasTotal * fuelMoleFlowRate);
}
else if (flueGasOutlet.MassFlowRate.HasValue)
{
fuelMoleFlowRate = flueGasOutlet.MassFlowRate.Value / flueGasTotal;
Calculate(fuelInlet.MoleFlowRate, fuelMoleFlowRate);
Calculate(airInlet.MassFlowRateDryBase, dryAirMassNeeded * fuelMoleFlowRate);
}
}
double fuelInletEnthalpy = fuelInlet.SpecificEnthalpy.Value;
double airInletEnthalpy = airMassNeeded * airInlet.SpecificEnthalpy.Value;
double totalHeatGenerated = Constants.NO_VALUE;
double heatLossValue = 0;
if (fuelInlet is GenericFuelStream)
{
//GenericFuelStream gfs = fuelInlet as GenericFuelStream;
//if (gfs.HeatValue.HasValue) {
// //total heat genrate eaquls to heat value of the fuel times fuelMassFlowRate
// totalHeatGenerated = gfs.HeatValue.Value * fuelMoleFlowRate;
// heatLossValue = totalHeatGenerated * percentageHeatLoss.Value / 100;
// double totalFlueGasSpecificEnthalpy = (fuelInletEnthalpy + airInletEnthalpy + totalHeatGenerated - heatLossValue) / flueGasTotal;
// Calculate(flueGasOutlet.SpecificEnthalpy, totalFlueGasSpecificEnthalpy);
//}
}
else if (fuelInlet is DetailedFuelStream)
{
HumidGasCalculator humidGasCalculator = new HumidGasCalculator(flueGas, water);
//evaporation heat of 2 moles of water
double evaporationHeat = 2.0 * water.MolarWeight * humidGasCalculator.GetEvaporationHeat(273.15);
double p = flueGasOutlet.Pressure.Value;
//double originalTemperature = airInlet.Temperature.Value;
//double initialHumidEnthalpy = humidGasCalculator.GetHumidEnthalpyFromDryBulbHumidityAndPressure(originalTemperature, flueGasMoistureContentDryBase, p);
double initialHumidEnthalpy = airInlet.SpecificEnthalpyDryBase.Value;
initialHumidEnthalpy = initialHumidEnthalpy * dryAirMassNeeded / dryFlueGas;
double t = airInlet.Temperature.Value;
double totalEnthalpyOfReactantOxygen = moleFractionOxygenNeeded * propCalculator.CalculateEnthalpyOfFormation(t, oxygen);
double totalEenthalpyOfReactants = totalEenthalpyOfReactantInFuelInlet + totalEnthalpyOfReactantOxygen;
double tNew = t;
int counter = 0;
if (excessAir.HasValue && percentageHeatLoss.IsSpecifiedAndHasValue)
{
do
{
counter++;
t = tNew;
double totalEenthalpyOfProduct = CalculateTotalEntalpyOfProduct(moleFractionCarbon, moleFractionHydrogen, moleFractionSulfur, t);
totalHeatGenerated = totalEenthalpyOfReactants - totalEenthalpyOfProduct + evaporationHeat;
heatLossValue = totalHeatGenerated * percentageHeatLoss.Value / 100;
double flueGasHumidEnthalpy = initialHumidEnthalpy + (totalHeatGenerated - heatLossValue) / dryFlueGas;
tNew = humidGasCalculator.GetDryBulbFromHumidEnthalpyHumidityAndPressure(flueGasHumidEnthalpy, flueGasMoistureContentDryBase, p);
} while (Math.Abs(tNew - t) / tNew > 1.0e-8 && counter < 100);
if (counter == 100)
{
throw new CalculationFailedException("Calculation of flame temperature failed.");
}
Calculate(flueGasOutlet.Temperature, tNew);
totalHeatGenerated *= fuelMoleFlowRate;
Calculate(heatLoss, totalHeatGenerated * percentageHeatLoss.Value / 100);
}
else if (excessAir.HasValue && flueGasOutlet.Temperature.IsSpecifiedAndHasValue)
{
double flueGasTemp = flueGasOutlet.Temperature.Value;
double totalEenthalpyOfProduct = CalculateTotalEntalpyOfProduct(moleFractionCarbon, moleFractionHydrogen, moleFractionSulfur, flueGasTemp);
totalHeatGenerated = totalEenthalpyOfReactants - totalEenthalpyOfProduct + evaporationHeat;
heatLossValue = totalHeatGenerated * percentageHeatLoss.Value / 100;
double flueGasHumidEnthalpy = initialHumidEnthalpy + (totalHeatGenerated - heatLossValue) / dryFlueGas;
tNew = humidGasCalculator.GetDryBulbFromHumidEnthalpyHumidityAndPressure(flueGasHumidEnthalpy, flueGasMoistureContentDryBase, p);
if (tNew < flueGasTemp)
{
throw new CalculationFailedException("Specified flue gas temperature cannot be reached.");
}
counter = 0;
double humidEnthanlpy0 = humidGasCalculator.GetHumidEnthalpyFromDryBulbHumidityAndPressure(flueGasTemp, flueGasMoistureContentDryBase, p);
do
{
counter++;
double humidEnthanlpy1 = humidGasCalculator.GetHumidEnthalpyFromDryBulbHumidityAndPressure(tNew, flueGasMoistureContentDryBase, p);
heatLossValue += dryFlueGas * (humidEnthanlpy1 - humidEnthanlpy0);
flueGasHumidEnthalpy = initialHumidEnthalpy + (totalHeatGenerated - heatLossValue) / dryFlueGas;
tNew = humidGasCalculator.GetDryBulbFromHumidEnthalpyHumidityAndPressure(flueGasHumidEnthalpy, flueGasMoistureContentDryBase, p);
} while (Math.Abs(tNew - flueGasTemp) / flueGasTemp > 1.0e-8 && counter < 100);
if (counter == 100)
{
throw new CalculationFailedException("Calculation of flame temperature failed.");
}
totalHeatGenerated *= fuelMoleFlowRate;
heatLossValue *= fuelMoleFlowRate;
Calculate(heatLoss, heatLossValue);
Calculate(percentageHeatLoss, heatLossValue / totalHeatGenerated * 100);
}
else if (flueGasOutlet.Temperature.IsSpecifiedAndHasValue && percentageHeatLoss.IsSpecifiedAndHasValue)
{
double flueGasTemp = flueGasOutlet.Temperature.Value;
double totalEenthalpyOfProduct = CalculateTotalEntalpyOfProduct(moleFractionCarbon, moleFractionHydrogen, moleFractionSulfur, flueGasTemp);
totalHeatGenerated = totalEenthalpyOfReactants - totalEenthalpyOfProduct + evaporationHeat;
heatLossValue = totalHeatGenerated * percentageHeatLoss.Value / 100;
double flueGasHumidEnthalpy = initialHumidEnthalpy + (totalHeatGenerated - heatLossValue) / dryFlueGas;
tNew = humidGasCalculator.GetDryBulbFromHumidEnthalpyHumidityAndPressure(flueGasHumidEnthalpy, flueGasMoistureContentDryBase, p);
if (tNew < flueGasTemp)
{
throw new CalculationFailedException("Specified flue gas temperature cannot be reached.");
}
//double excessDryAirNeededOld;
do
{
counter++;
t = tNew;
//excessDryAirNeededOld = excessDryAirNeeded;
//initialHumidEnthalpy = humidGasCalculator.GetHumidEnthalpyFromDryBulbHumidityAndPressure(originalTemperature, flueGasMoistureContentDryBase, p);
flueGasHumidEnthalpy = humidGasCalculator.GetHumidEnthalpyFromDryBulbHumidityAndPressure(flueGasTemp, flueGasMoistureContentDryBase, p);
dryFlueGas = (totalHeatGenerated - heatLossValue) / (flueGasHumidEnthalpy - initialHumidEnthalpy);
flueGasTotal = dryFlueGas + totalMoistureInFlueGas;
airMassNeeded = flueGasTotal - fuelInlet.Components.MolarWeight;
dryAirMassNeeded = airMassNeeded / (1 + airInlet.Humidity.Value);
totalMoistureInFlueGas = moitureGeneratedByReaction + dryAirMassNeeded * airInlet.Humidity.Value;
excessDryAirNeeded = dryAirMassNeeded - exactDryAirMassNeeded;
excessAirValue = excessDryAirNeeded / exactDryAirMassNeeded;
flueGasMoistureContentDryBase = totalMoistureInFlueGas / dryFlueGas;
flueGas = CreateDryFlueGasSubstance(moleFractionCarbon, moleFractionSulfur, moleFractionCarbonDioxide, moleFractionNitrogen, moleFractionOxygenNeeded, dryAirMassNeeded, dryFlueGas, excessAirValue);
humidGasCalculator = new HumidGasCalculator(flueGas, water);
tNew = humidGasCalculator.GetDryBulbFromHumidEnthalpyHumidityAndPressure(flueGasHumidEnthalpy, flueGasMoistureContentDryBase, p);
} while (Math.Abs(tNew - flueGasTemp) / flueGasTemp > 1.0e-8 && counter < 100);
//} while (Math.Abs(excessDryAirNeeded - excessDryAirNeededOld) > 1.0e-6 && counter < 100);
if (counter == 100)
{
throw new CalculationFailedException("Calculation of flame temperature failed.");
}
Calculate(flueGasOutlet.Humidity, flueGasMoistureContentDryBase);
Calculate(excessAir, excessAirValue * 100);
flueGasComponents = CreateDryingGasComponents(flueGasMoistureContentDryBase, flueGas);
flueGasOutlet.GasComponents = flueGasComponents;
if (flueGasOutlet.MassFlowRate.IsSpecifiedAndHasValue)
{
fuelMoleFlowRate = flueGasOutlet.MassFlowRate.Value / flueGasTotal;
Calculate(fuelInlet.MoleFlowRate, fuelMoleFlowRate);
}
else
{
Calculate(flueGasOutlet.MassFlowRate, flueGasTotal * fuelMoleFlowRate);
}
Calculate(airInlet.MassFlowRateDryBase, dryAirMassNeeded * fuelMoleFlowRate);
Calculate(heatLoss, heatLossValue * fuelMoleFlowRate);
totalHeatGenerated *= fuelMoleFlowRate;
}
Calculate(totalHeatGeneration, totalHeatGenerated);
}
if (flueGasOutlet.Temperature.HasValue && totalHeatGeneration.HasValue)
{
solveState = SolveState.Solved;
double oxygenMassFraction = moleFractionOxygenNeeded * excessAirValue * oxygen.MolarWeight / flueGasTotal;
double oxygenMoleFraction = moleFractionOxygenNeeded * excessAirValue / (1 + airMassNeeded / air.MolarWeight);
Calculate(oxygenMassFractionFlueGas, oxygenMassFraction);
Calculate(oxygenMoleFractionFlueGas, oxygenMoleFraction);
}
}
