Minor updates to gas properties.

LBNL-ETA · Jun 20, 2024 · 3a0036c · 3a0036c
1 parent aa945dd
commit 3a0036c
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Showing 4 changed files with 64 additions and 39 deletions.
diff --git a/src/Gases/src/GasItem.cpp b/src/Gases/src/GasItem.cpp
@@ -23,49 +23,58 @@ namespace Gases
         m_Fraction(t_Fraction), m_GasData(t_GasData)
     {}
 
-    CGasItem::CGasItem(double aFraction, Gases::GasDef def) :
-        CGasItem(aFraction, getGasData(def))
+    CGasItem::CGasItem(double aFraction, Gases::GasDef def) : CGasItem(aFraction, getGasData(def))
     {}
 
-    void CGasItem::fillStandardPressureProperites()
+    GasProperties CGasItem::fillStandardPressureProperties() const
     {
         using ConstantsData::UNIVERSALGASCONSTANT;
-        m_GasProperties.m_ThermalConductivity =
-          m_GasData.getPropertyValue(CoeffType::cCond, m_Temperature);
-        m_GasProperties.m_Viscosity = m_GasData.getPropertyValue(CoeffType::cVisc, m_Temperature);
-        m_GasProperties.m_SpecificHeat = m_GasData.getPropertyValue(CoeffType::cCp, m_Temperature);
-        m_GasProperties.m_MolecularWeight = m_GasData.getMolecularWeight();
-        m_GasProperties.m_Density =
-          m_Pressure * m_GasProperties.m_MolecularWeight / (UNIVERSALGASCONSTANT * m_Temperature);
-        m_GasProperties.m_PrandlNumber =
-          calculatePrandtlNumber(m_GasProperties.m_ThermalConductivity,
-                                 m_GasProperties.m_SpecificHeat,
-                                 m_GasProperties.m_Viscosity,
-                                 m_GasProperties.m_Density);
+
+        return {
+          m_GasData.getPropertyValue(CoeffType::cCond, m_Temperature),   // m_ThermalConductivity
+          m_GasData.getPropertyValue(CoeffType::cVisc, m_Temperature),   // m_Viscosity
+          m_GasData.getPropertyValue(CoeffType::cCp, m_Temperature),     // m_SpecificHeat
+          m_Pressure * m_GasData.getMolecularWeight()
+            / (UNIVERSALGASCONSTANT * m_Temperature),   // m_Density
+          m_GasData.getMolecularWeight(),               // m_MolecularWeight
+          calculatePrandtlNumber(                       // m_PrandlNumber
+            m_GasData.getPropertyValue(CoeffType::cCond, m_Temperature),
+            m_GasData.getPropertyValue(CoeffType::cCp, m_Temperature),
+            m_GasData.getPropertyValue(CoeffType::cVisc, m_Temperature),
+            m_Pressure * m_GasData.getMolecularWeight() / (UNIVERSALGASCONSTANT * m_Temperature)),
+          true   // m_PropertiesCalculated
+        };
     }
 
-    void CGasItem::fillVacuumPressureProperties()
+    GasProperties CGasItem::fillVacuumPressureProperties() const
     {
         using ConstantsData::UNIVERSALGASCONSTANT;
         using ConstantsData::WCE_PI;
-        auto const alpha1 = 0.79;
-        auto const alpha2 = 0.79;
-        auto const alpha = alpha1 * alpha2 / (alpha2 + alpha1 * (1 - alpha2));
-        auto const specificHeatRatio = m_GasData.getSpecificHeatRatio();
+
+        const auto alpha1 = 0.79;
+        const auto alpha2 = 0.79;
+        const auto alpha = alpha1 * alpha2 / (alpha2 + alpha1 * (1 - alpha2));
+        const auto specificHeatRatio = m_GasData.getSpecificHeatRatio();
         if(specificHeatRatio == 1)
         {
             throw std::runtime_error("Specific heat ratio of a gas cannot be equal to one.");
         }
         auto B = alpha * (specificHeatRatio + 1) / (specificHeatRatio - 1);
-        B *= sqrt(UNIVERSALGASCONSTANT / (8 * WCE_PI * m_GasData.getMolecularWeight() * m_Temperature));
-        m_GasProperties.m_ThermalConductivity = B * m_Pressure;
-        m_GasProperties.m_Viscosity = 0;
-        m_GasProperties.m_SpecificHeat = 0;
-        m_GasProperties.m_MolecularWeight = m_GasData.getMolecularWeight();
-        m_GasProperties.m_Density = 0;
-        m_GasProperties.m_PrandlNumber = 0;
+        B *= sqrt(UNIVERSALGASCONSTANT
+                  / (8 * WCE_PI * m_GasData.getMolecularWeight() * m_Temperature));
+
+        return {
+          B * m_Pressure,                   // m_ThermalConductivity
+          0.0,                              // m_Viscosity
+          0.0,                              // m_SpecificHeat
+          0.0,                              // m_Density
+          m_GasData.getMolecularWeight(),   // m_MolecularWeight
+          0.0,                              // m_PrandlNumber
+          true                              // m_PropertiesCalculated
+        };
     }
 
+
     double CGasItem::fraction() const
     {
         return m_Fraction;
@@ -93,15 +102,9 @@ namespace Gases
     {
         if(!m_GasProperties.m_PropertiesCalculated)
         {
-            if(m_Pressure > CGasSettings::instance().getVacuumPressure())
-            {
-                fillStandardPressureProperites();
-            }
-            else
-            {
-                fillVacuumPressureProperties();
-            }
-            m_GasProperties.m_PropertiesCalculated = true;
+            m_GasProperties = (m_Pressure > CGasSettings::instance().getVacuumPressure())
+                                ? fillStandardPressureProperties()
+                                : fillVacuumPressureProperties();
         }
 
         return m_GasProperties;

diff --git a/src/Gases/src/GasItem.hpp b/src/Gases/src/GasItem.hpp
@@ -9,7 +9,7 @@
 namespace Gases
 {
 
-    double const DefaultPressure = 101325;
+    double const DefaultPressure = 101325.0;
     double const DefaultTemperature = 273.15;
     double const DefaultFraction = 1.0;
     enum class GasDef;
@@ -34,8 +34,8 @@ namespace Gases
         [[nodiscard]] std::string name() const;
 
     private:
-        void fillStandardPressureProperites();
-        void fillVacuumPressureProperties();
+        [[nodiscard]] GasProperties fillStandardPressureProperties() const;
+        [[nodiscard]] GasProperties fillVacuumPressureProperties() const;
         void resetCalculatedProperties();
         double m_Temperature{DefaultTemperature};   // unit in Kelvins
         double m_Pressure{DefaultPressure};         // unit in Pa

diff --git a/src/Gases/src/GasProperties.cpp b/src/Gases/src/GasProperties.cpp
@@ -97,6 +97,21 @@ namespace Gases
         equal = equal && m_PropertiesCalculated == t_A.m_PropertiesCalculated;
         return equal;
     }
+    GasProperties::GasProperties(double t_ThermalConductivity,
+                                 double t_Viscosity,
+                                 double t_SpecificHeat,
+                                 double t_Density,
+                                 double t_MolecularWeight,
+                                 double t_PrandlNumber,
+                                 bool t_PropertiesCalculated) :
+        m_ThermalConductivity(t_ThermalConductivity),
+        m_Viscosity(t_Viscosity),
+        m_SpecificHeat(t_SpecificHeat),
+        m_Density(t_Density),
+        m_MolecularWeight(t_MolecularWeight),
+        m_PrandlNumber(t_PrandlNumber),
+        m_PropertiesCalculated(t_PropertiesCalculated)
+    {}
 
     double calculatePrandtlNumber(double thermalConductivity,
                                   double specificHeat,

diff --git a/src/Gases/src/GasProperties.hpp b/src/Gases/src/GasProperties.hpp
@@ -39,6 +39,13 @@ namespace Gases
     {
         GasProperties() = default;
         GasProperties(GasProperties const & t_GasProperties);
+        GasProperties(double t_ThermalConductivity,
+                      double t_Viscosity,
+                      double t_SpecificHeat,
+                      double t_Density,
+                      double t_MolecularWeight,
+                      double t_PrandlNumber,
+                      bool t_PropertiesCalculated);
 
         GasProperties & operator+(const GasProperties & t_A);
         GasProperties & operator+=(const GasProperties & t_A);