Cleanup compositional fluid model

src/coreComponents/common/PhysicsConstants.hpp

@@ -16,24 +16,32 @@
  * @file PhysicsConstants.hpp
  * @brief Regroups useful constants that are globally used for math and physics computations.
  */
-#ifndef GEOS_MATH_PHYSICSCONSTANTS_HPP_
-#define GEOS_MATH_PHYSICSCONSTANTS_HPP_
+#ifndef GEOS_COMMON_PHYSICSCONSTANTS_HPP_
+#define GEOS_COMMON_PHYSICSCONSTANTS_HPP_
 
 namespace geos
 {
 
 namespace constants
 {
 
-
 /**
  * @brief Zero degree Celsius in Kelvin
  */
 constexpr double zeroDegreesCelsiusInKelvin = 273.15;
 
+/**
+ * @brief Shorthand for pi
+ */
+constexpr double pi = 3.141592653589793238;
+
+/**
+ * @brief Universal gas constant
+ */
+constexpr double gasConstant = 8.31446261815324;
 
 } // end namespace constants
 
 } // end namespace geos
 
-#endif //GEOS_MATH_PHYSICSCONSTANTS_HPP_
+#endif //GEOS_COMMON_PHYSICSCONSTANTS_HPP_

src/coreComponents/common/Units.hpp

@@ -33,12 +33,14 @@ namespace units
  * @return the input Kelvin degrees converted in Celsius
  * @param kelvin degrees input
  */
+GEOS_HOST_DEVICE
 inline constexpr double convertKToC( double kelvin )
 { return kelvin - constants::zeroDegreesCelsiusInKelvin; }
 /**
  * @return the input Celsius degrees converted in Kelvin
  * @param celsius degrees input
  */
+GEOS_HOST_DEVICE
 inline constexpr double convertCToK( double celsius )
 { return celsius + constants::zeroDegreesCelsiusInKelvin; }
 

src/coreComponents/constitutive/fluid/multifluid/CO2Brine/functions/CO2Solubility.cpp

@@ -20,7 +20,6 @@
 
 #include "constitutive/fluid/multifluid/CO2Brine/functions/CO2EOSSolver.hpp"
 #include "constitutive/fluid/multifluid/CO2Brine/functions/PVTFunctionHelpers.hpp"
-#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp"
 
 #include "functions/FunctionManager.hpp"
 #include "common/Units.hpp"
@@ -42,7 +41,7 @@ namespace
 constexpr real64 P_Pa_f = 1e+5;
 constexpr real64 P_c    = 73.773 * P_Pa_f;
 constexpr real64 T_c    = 304.1282;
-constexpr real64 Rgas   = MultiFluidConstants::gasConstant;
+constexpr real64 Rgas   = constants::gasConstant;
 constexpr real64 V_c    = Rgas*T_c/P_c;
 
 // these coefficients are in Table (A1) of Duan and Sun (2003)

src/coreComponents/constitutive/fluid/multifluid/MultiFluidConstants.hpp

@@ -20,6 +20,7 @@
 #define GEOS_CONSTITUTIVE_FLUID_MULTIFLUID_MULTIFLUIDCONSTANTS_HPP_
 
 #include "LvArray/src/Macros.hpp"
+#include "common/PhysicsConstants.hpp"
 
 namespace geos
 {
@@ -40,16 +41,6 @@ struct MultiFluidConstants
    */
   static constexpr integer MAX_NUM_PHASES = 4;
 
-  /**
-   * @brief Shorthand for pi
-   */
-  static constexpr real64 pi = 3.141592653589793238;
-
-  /**
-   * @brief Universal gas constant
-   */
-  static constexpr real64 gasConstant = 8.31446261815324;
-
   /**
    * @brief Epsilon used in the calculations to check against zero
    */

src/coreComponents/constitutive/fluid/multifluid/compositional/CompositionalMultiphaseFluidUpdates.hpp

@@ -134,16 +134,7 @@ CompositionalMultiphaseFluidUpdates( compositional::ComponentProperties const &
   m_phase1( phase1.createKernelWrapper() ),
   m_phase2( phase2.createKernelWrapper() ),
   m_phase3( phase3.createKernelWrapper() )
-{
-  std::cout << "Sizes:\n"
-            << "this: " << sizeof(CompositionalMultiphaseFluidUpdates) << "\n"
-            << "props: " << sizeof(compositional::ComponentProperties::KernelWrapper) << "\n"
-            << "flash: " << sizeof(typename FLASH::KernelWrapper) << "\n"
-            << "phase1: " << sizeof(typename PHASE1::KernelWrapper) << "\n"
-            << "phase2: " << sizeof(typename PHASE2::KernelWrapper) << "\n"
-            << "phase3: " << sizeof(typename PHASE3::KernelWrapper) << "\n"
-            << std::endl;
-}
+{}
 
 template< typename FLASH, typename PHASE1, typename PHASE2, typename PHASE3 >
 GEOS_HOST_DEVICE

src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CompositionalProperties.cpp

@@ -44,7 +44,7 @@ void CompositionalProperties::computeMolarDensity( integer const numComps,
                                                    real64 & molarDensity )
 {
 
-  real64 vEos = MultiFluidConstants::gasConstant * temperature * compressibilityFactor / pressure;
+  real64 vEos = constants::gasConstant * temperature * compressibilityFactor / pressure;
   real64 vCorrected = vEos;
 
   for( integer ic = 0; ic < numComps; ++ic )
@@ -91,17 +91,17 @@ void CompositionalProperties::computeMolarDensity( integer const numComps,
   real64 dvCorrected_dx = 0.0;
 
   // Pressure derivative
-  dvCorrected_dx = MultiFluidConstants::gasConstant * temperature * (dCompressibilityFactor_dp - compressibilityFactor / pressure) / pressure;
+  dvCorrected_dx = constants::gasConstant * temperature * (dCompressibilityFactor_dp - compressibilityFactor / pressure) / pressure;
   dMolarDensity_dp = -molarDensity * molarDensity * dvCorrected_dx;
 
   // Temperature derivative
-  dvCorrected_dx = MultiFluidConstants::gasConstant * (temperature * dCompressibilityFactor_dt + compressibilityFactor) / pressure;
+  dvCorrected_dx = constants::gasConstant * (temperature * dCompressibilityFactor_dt + compressibilityFactor) / pressure;
   dMolarDensity_dt = -molarDensity * molarDensity * dvCorrected_dx;
 
   // Composition derivative
   for( integer ic = 0; ic < numComps; ++ic )
   {
-    dvCorrected_dx = MultiFluidConstants::gasConstant * temperature * dCompressibilityFactor_dz[ic] / pressure + volumeShift[ic];
+    dvCorrected_dx = constants::gasConstant * temperature * dCompressibilityFactor_dz[ic] / pressure + volumeShift[ic];
     dMolarDensity_dz[ic] = -molarDensity * molarDensity * dvCorrected_dx;
   }
 }

src/coreComponents/constitutive/fluid/multifluid/compositional/functions/CubicEOSPhaseModel.hpp

@@ -627,8 +627,8 @@ solveCubicPolynomial( real64 const & m3,
     real64 const theta = acos( r / sqrt( qCubed ) );
     real64 const qSqrt = sqrt( q );
     roots[0] = -2 * qSqrt * cos( theta / 3 ) - a1 / 3;
-    roots[1] = -2 * qSqrt * cos( ( theta + 2 * MultiFluidConstants::pi ) / 3 ) - a1 / 3;
-    roots[2] = -2 * qSqrt * cos( ( theta + 4 * MultiFluidConstants::pi ) / 3 ) - a1 / 3;
+    roots[1] = -2 * qSqrt * cos( ( theta + 2 * constants::pi ) / 3 ) - a1 / 3;
+    roots[2] = -2 * qSqrt * cos( ( theta + 4 * constants::pi ) / 3 ) - a1 / 3;
     numRoots = 3;
   }
   // one real root

src/coreComponents/constitutive/fluid/multifluid/compositional/models/ComponentProperties.hpp

@@ -62,7 +62,7 @@ class ComponentProperties final
    * @brief Get the number of components
    * @return The number of components
    */
-  integer getNumberOfComponents() const { return m_componentMolarWeight.size( 0 ); }
+  integer getNumberOfComponents() const { return m_componentNames.size(); }
 
   struct KernelWrapper
   {

src/coreComponents/constitutive/fluid/multifluid/reactive/chemicalReactions/KineticReactions.hpp

@@ -22,7 +22,7 @@
 #include "ReactionsBase.hpp"
 
 #include "constitutive/fluid/multifluid/Layouts.hpp"
-#include "constitutive/fluid/multifluid/MultiFluidConstants.hpp"
+#include "common/PhysicsConstants.hpp"
 
 namespace geos
 {
@@ -43,7 +43,7 @@ class KineticReactions : public ReactionsBase
   {
 public:
 
-    static constexpr real64 RConst = MultiFluidConstants::gasConstant;
+    static constexpr real64 RConst = constants::gasConstant;
 
     KernelWrapper( integer const numPrimarySpecies,
                    integer const numSecondarySpecies,