Add latent_correlation_i for use with manifold (#623)

* Initial restructuring for Manifold

* Add comments

* Revert to correlation in calcBoilT

* Only pass single h_gas

* cp at ref_T

* T not ref_T

* Format

* Remove unnecessary comment in SpraySetup.cpp

Removed comment about latentRef_minus_gasRefH_i not needed for the Manifold model.

---------

Co-authored-by: Bruce Perry <Bruce.Perry@nrel.gov>

Author: d-montgomery

Source/Spray/Drag.H

@@ -56,7 +56,7 @@ calcVaporState(
   const amrex::Real& C_eps,
   const amrex::Real& mw_part,
   const amrex::Real* Y_l,
-  const amrex::Real* h_part,
+  const amrex::Real* h_gas,
   const amrex::Real* cp_n,
   const amrex::Real* cBoilT,
   amrex::Real* Y_skin,
@@ -75,9 +75,11 @@ calcVaporState(
     amrex::Real T_part = amrex::min(T_in, 0.99 * cBoilT[spf]);
 
     // Compute latent heat
-    amrex::Real part_latent =
-      h_part[fspec] + fdat.liqprops.latentRef_minus_gasRefH_i[spf] -
-      fdat.liqprops.cp_i(T_part, spf) * (T_part - fdat.liqprops.ref_T);
+    amrex::Real part_latent = fdat.liqprops.latent_i(T_part, h_gas[fspec], spf);
+    // TODO: for Manifold model part_latent should be latent_correlation_i
+    // amrex::Real part_latent =
+    //   liqprops.latent_correlation_i(liqprops.boilT_i(spf), spf);
+
     L_fuel[spf] = part_latent;
 
     amrex::Real pres_sat = fdat.liqprops.psat_i(T_part, spf, part_latent);
@@ -171,7 +173,7 @@ calculateSpraySource(
     get_lambda = false;
   }
   amrex::GpuArray<amrex::Real, NUM_SPECIES> Y_skin;
-  amrex::GpuArray<amrex::Real, NUM_SPECIES> h_part;
+  amrex::GpuArray<amrex::Real, NUM_SPECIES> h_gas;
   amrex::GpuArray<amrex::Real, NUM_SPECIES> cp_n;
   amrex::GpuArray<amrex::Real, NUM_SPECIES> Ddiag;
   amrex::GpuArray<amrex::Real, SPRAY_FUEL_NUM> L_fuel = {{0.0}};
@@ -219,10 +221,10 @@ calculateSpraySource(
     }
     // Calculate the C_p at the skin temperature for each species
     eos.T2Cpi(T_skin, cp_n.data());
-    eos.T2Hi(T_part, h_part.data());
+    eos.T2Hi(T_part, h_gas.data());
     for (int n = 0; n < NUM_SPECIES; ++n) {
       Y_skin[n] = 0.;
-      h_part[n] *= SprayUnits::eng_conv;
+      h_gas[n] *= SprayUnits::eng_conv;
       cp_n[n] *= SprayUnits::eng_conv;
     }
     amrex::Real cp_skin = 0.; // Average C_p in modeled skin phase
@@ -231,7 +233,7 @@ calculateSpraySource(
     amrex::Real sumXVap = 0.; // Sum of Y_L Psat_f / mw_f
     if (fdat.mass_trans) {
       calcVaporState(
-        fdat, gpv, rule, T_part, C_eps, mw_part, Y_part.data(), h_part.data(),
+        fdat, gpv, rule, T_part, C_eps, mw_part, Y_part.data(), h_gas.data(),
         cp_n.data(), cBoilT, Y_skin.data(), X_vapor.data(), L_fuel.data(), B_M,
         sumXVap, cp_skin, mw_skin);
     } else {
@@ -432,7 +434,7 @@ calculateSpraySource(
     amrex::Real midot =
       (newY * pmass - oldY * startmass) / (fdat.dtmod * flow_dt);
     gpv.fluid_Y_dot[spf] = num_ppp * midot;
-    gpv.fluid_eng_src += num_ppp * midot * h_part[fdspec];
+    gpv.fluid_eng_src += num_ppp * midot * h_gas[fdspec];
     p.rdata(SprayComps::pstateY + spf) = Y_part[spf];
   }
   AMREX_D_TERM(p.rdata(SprayComps::pstateVel) = vel_part[0];

Source/Spray/SprayFuelData.H

@@ -106,10 +106,13 @@ struct SprayData
     const amrex::Real RU = pele::physics::Constants::RU * SprayUnits::ru_conv;
     const amrex::Real PATM =
       pele::physics::Constants::PATM * SprayUnits::pres_conv;
+
     for (int spf = 0; spf < SPRAY_FUEL_NUM; ++spf) {
       const amrex::Real mw_li = liqprops.mw_i(spf);
+
+      // Use correlation to avoid calling eos.T2Hi for each boilT_i(spf)
       const amrex::Real Hboil_ref =
-        liqprops.latent_i(liqprops.boilT_i(spf), spf);
+        liqprops.latent_correlation_i(liqprops.boilT_i(spf), spf);
 
       // Estimate the boiling temperature at the gas phase pressure using
       // Clasius-Clapeyron relation

Source/Spray/SprayPropertiesGCM.H

@@ -148,8 +148,19 @@ struct GCMLiqProps : public BaseLiqProps
 
   AMREX_GPU_HOST_DEVICE
   AMREX_FORCE_INLINE
-  amrex::Real latent_i(const amrex::Real T, const int spf) const
+  amrex::Real latent_i(
+    const amrex::Real T, const amrex::Real h_gas_spf, const int spf) const
   {
+    amrex::Real latent_heat_i =
+      h_gas_spf + latentRef_minus_gasRefH_i[spf] - cp_i(T, spf) * (T - ref_T);
+    return latent_heat_i;
+  }
+
+  AMREX_GPU_HOST_DEVICE
+  AMREX_FORCE_INLINE
+  amrex::Real latent_correlation_i(const amrex::Real T, const int spf) const
+  {
+    // Correlation to be used with manifold model
     const amrex::Real Tc_i = critT_i(spf);
     const amrex::Real Tb_i = boilT_i(spf);
     const amrex::Real Tr = T / Tc_i;

Source/Spray/SprayPropertiesPeleMP.H

@@ -84,8 +84,19 @@ struct MPLiqProps : public BaseLiqProps
 
   AMREX_GPU_HOST_DEVICE
   AMREX_FORCE_INLINE
-  amrex::Real latent_i(const amrex::Real T, const int spf) const
+  amrex::Real latent_i(
+    const amrex::Real T, const amrex::Real h_gas_spf, const int spf) const
   {
+    amrex::Real latent_heat_i =
+      h_gas_spf + latentRef_minus_gasRefH_i[spf] - cp_i(T, spf) * (T - ref_T);
+    return latent_heat_i;
+  }
+
+  AMREX_GPU_HOST_DEVICE
+  AMREX_FORCE_INLINE
+  amrex::Real latent_correlation_i(const amrex::Real T, const int spf) const
+  {
+    // Correlation to be used with manifold model
     // Since we only know the latent heat at the reference temperature,
     // modify Watsons power law to find latent heat at any temperature
     return latent[spf] *