Initial implementation of spray capability for Manifold EOS #620

SreejithNREL · 2025-09-06T16:43:12Z

Added capabilities to:

Read generic data from manifold table given its table indices
Functionalities to retrieve manifold parameters
Identify species names from (2)
store mass fractions of liquid spray fuel species from the manifold table based on the manifold variable values at the spray particle location.
Yet to clang tidy the changes.

…d Y2Wbar function to interpolate Wbar value. To be used with PR#9 of cmlm

…ven its index. 2. to store liquid fuel mass frcation values read from manifold table

…old model is used

baperry2

Looks good, thanks for doing this. We can leave as a draft for now because some modification may be needed as we complete the implementation.

Source/Eos/EOS.H

Source/Eos/Manifold.H

Source/Spray/SpraySetup.cpp

… file for manifold models

…m repo

… when verified using SingleDropEval.

Source/Transport/TransportParams.H

Source/Eos/EosParams.H

baperry2 · 2025-09-25T20:24:09Z

Source/Eos/Manifold.H

  AMREX_GPU_HOST_DEVICE
  AMREX_FORCE_INLINE
-  static void T2Cpi(const amrex::Real /*T*/, amrex::Real* /*Cpi[NUM_SPECIES]*/)
+  static void T2Cpi(const amrex::Real T, amrex::Real Cpi[NUM_SPECIES])


Also revert this to just aborting

baperry2 · 2025-09-25T22:55:02Z

Source/Spray/Drag.H

+      // Antoine based psat- should I use the PeleMP psat_i
+      amrex::Real pres_sat = fdat.liqprops.psat_i(T_part, spf, 0.0);
+
+      amrex::Real Xl = Y_l[spf] * mw_part / mw_li;  // X_{d,n} in documentation


Need to add check on saturation condition similar to detailed chemistry case

baperry2 · 2025-09-26T20:42:03Z

@d-montgomery can you do some quick checks to make sure this does not affect any of the detailed chemistry single droplet spray validation?

baperry2 · 2025-09-26T21:29:06Z

Source/Eos/Manifold.H

  {
-    // TODO: FIXME (T2Cpi need to be implemented for manifold model)
-    amrex::Abort("\nT2Cpi is not yet implemented for Maniold model");
+    // amrex::Abort("\nT2Cpi is not yet implemented for Maniold model");


It should be ok to have this raise an error, the only place it gets called is in the wall film model, which I don't think should be being called for now. If it is, we have to deal with that as well, should be very similar what's done in Drag.H.

baperry2 · 2025-09-26T21:29:53Z

Source/Spray/Drag.H

          Ddiag[fspec] *= X_norm;
          rhoDtotal += Ddiag[fspec];
-          cp_fuel += Y_skin[fspec] * cp_n[fspec];
+          cp_fuel += Y_skin[fspec]; // * cp_n[fspec];


This should not be here.

d-montgomery · 2025-09-29T14:43:18Z

@d-montgomery can you do some quick checks to make sure this does not affect any of the detailed chemistry single droplet spray validation?

I ran a few of the SingleDropEvap tests, including one with a detailed mechanism for JP8. They all passed the eyeball norm, but there are some noticeable differences in enthalpy/temperature, especially in the WongLin case which has a higher ambient temp. Here are the results:

Near final plot files from the WongLin validation (decane with $T_{amb} = 1000$ K)

(base) SingleDropEvap $./fcompare.gnu.ex GCM_WongLin/plt00350 GCM_WongLin_After620/plt00350

            variable name            absolute error            relative error
                                        (||A - B||)         (||A - B||/||A||)
 ----------------------------------------------------------------------------
 level = 0
 x_velocity                         3.408466703e-08           8.836074782e-08
 y_velocity                         7.205502652e-09           2.324012715e-05
 density                            4.257777475e-08            1.19787726e-07
 rho.Y(NC10H22)                     1.063682872e-09           6.552732279e-07
 rho.Y(O2)                          9.920621949e-09           1.203107742e-07
 rho.Y(N2)                          3.265715526e-08           1.203100112e-07
 rhoh                                 0.03375012538           1.274496647e-07
 temp                               0.0001218882946           1.218882943e-07
 RhoRT                               0.001651422601           1.629821136e-08
 divu                               1.598934481e-07           2.019470502e-06
 Y(NC10H22)                         3.199222889e-09           7.001794319e-07
 Y(O2)                              1.887454998e-09           8.100665182e-09
 Y(N2)                               2.34784836e-09               3.06108e-09
 spray_mass                         3.348830506e-13           3.311433708e-07
 spray_density                      3.429202439e-10           3.311433708e-07
 spray_vol                          5.395287349e-16           3.312671879e-07
 spray_surf_area                    1.478411786e-12           2.208448041e-07
 spray_vol_frac                     5.524774245e-13           3.312671879e-07
 d10                                1.611893683e-10           1.104224082e-07
 d32                                1.611893683e-10           1.104224082e-07
 spray_temp                         8.501700677e-08           1.985661218e-10
 num_parcels                                      0                         0
 spray_x_vel                                      0                         0
 spray_y_vel                                      0                         0
 spray_mass_NC7H16                                0                         0
 spray_mass_NC10H22                 3.348830506e-13           3.311433708e-07

Final plot files from the Daif validation (mix of heptane and decane with $T_{amb} = 348$ K)

(base) SingleDropEvap $./fcompare.gnu.ex GCM_Daif/plt09050 GCM_Daif_After620/plt09050 

            variable name            absolute error            relative error
                                        (||A - B||)         (||A - B||/||A||)
 ----------------------------------------------------------------------------
 level = 0
 x_velocity                         2.586851311e-08           8.344525399e-09
 y_velocity                         5.476668317e-09           5.989890514e-05
 density                            7.119917989e-09           7.047061047e-09
 rho.Y(NC7H16)                      1.336989514e-22           2.351035977e-08
 rho.Y(NC10H22)                     6.753725943e-14           1.675081372e-08
 rho.Y(O2)                          1.665257071e-09           7.073919786e-09
 rho.Y(N2)                          5.454604213e-09           7.038865148e-09
 rhoh                                0.002338967322            4.58276048e-08
 temp                               2.585086861e-06           7.428410497e-09
 RhoRT                              0.0003471648379           3.426249449e-09
 divu                               9.346454717e-10           2.668196416e-06
 Y(NC7H16)                          1.282762158e-22           2.279000228e-08
 Y(NC10H22)                         6.681530678e-14           1.674308173e-08
 Y(O2)                              1.390629278e-11           5.968366002e-11
 Y(N2)                              1.390432214e-11           1.812819053e-11
 spray_mass                         8.227829234e-17           8.794741162e-10
 spray_density                      8.425297135e-14           8.794741162e-10
 spray_vol                          1.175184285e-19           8.753541672e-10
 spray_surf_area                    7.399313485e-16           5.835694142e-10
 spray_vol_frac                     1.203388708e-16           8.753541672e-10
 d10                                1.853689728e-13           2.917847076e-10
 d32                                1.853689728e-13           2.917847076e-10
 wall_film_hght                                   0                         0
 wall_film_mass                                   0                         0
 spray_temp                         3.719776487e-09           1.104398816e-11
 num_parcels                                      0                         0
 spray_x_vel                                      0                         0
 spray_y_vel                                      0                         0
 spray_mass_NC7H16                  6.375591978e-26           2.372867627e-08
 spray_mass_NC10H22                 8.227829234e-17           8.794741162e-10

Here are the results using a detailed mechanism for JP8. The plot files are not from the final time step, but far enough into the simulation for this analysis. Note the initial droplet and ambient temperatures are $T_{drop, 0} = T_{amb} = 294.15$ K

(base) SingleDropEvap $./fcompare.gnu.ex GCM_RungeJP8/plt09000 GCM_RungeJP8_After620/plt09000 

 variable name                      absolute error            relative error
                                      (||A - B||)         (||A - B||/||A||)
 ----------------------------------------------------------------------------
 level = 0
 x_velocity                          2.70894418e-14           9.029685935e-15
 y_velocity                         2.599569865e-14           3.890338824e-10
 density                            5.844214002e-13            4.88852699e-13
 rho.Y(O2)                          4.152234112e-14           1.490657637e-13
 rho.Y(N2)                           6.78346268e-14           7.397893492e-14
 rho.Y(C6H5CH3)                    3.790307832e-230           5.762550094e-11
 rho.Y(C6H5C2H5)                    1.253364421e-22           2.413793233e-11
 rho.Y(C6H5C3H7)                    6.319080853e-20           8.527442712e-12
 rho.Y(C6H5C4H9)                    6.338519598e-20           3.434594944e-12
 rho.Y(C6H5C5H11)                   1.494219059e-20           1.801657785e-12
 rho.Y(C6H5C6H13)                   8.002972426e-21           4.056150314e-12
 rho.Y(C6H5C7H15)                   2.228372871e-21           6.703332855e-12
 rho.Y(C6H5C8H17)                   8.879202264e-22           1.477611357e-11
 rho.Y(C6H5C9H19)                   6.593033379e-22           7.523143237e-11
 rho.Y(NAPH)                         1.12894644e-21           3.911194773e-12
 rho.Y(METHYLNAPH-1)                3.184180069e-21            9.57074654e-12
 rho.Y(ETHYLNAPH-1)                 4.154281982e-21           2.206009479e-11
 rho.Y(PROPYLNAPH-1)                 2.66970604e-21           9.154058177e-11
 rho.Y(INDANE)                      8.782977895e-23            2.64711415e-12
 rho.Y(TETRA)                       4.168680095e-21           5.857245581e-12
 rho.Y(METHYLTETRA-2)               1.061893111e-20           3.580875748e-12
 rho.Y(ETHYLTETRA-2)                4.190910573e-21           1.496257945e-12
 rho.Y(PROPYLTETRA-2)               1.158673243e-21           1.717792304e-12
 rho.Y(BUTYLTETRA-2)                4.555180236e-22           6.116987232e-12
 rho.Y(C7H16-2)                     2.324915083e-25           3.717146219e-11
 rho.Y(C8H18-2)                     1.605702326e-20           9.372237146e-12
 rho.Y(C9H20-2)                     7.219632386e-20           2.864966154e-12
 rho.Y(C10H22-2)                    6.333556514e-20           1.487247413e-12
 rho.Y(C11H24-2)                    1.269259019e-19            8.03934536e-12
 rho.Y(C12H26-2)                    7.052790057e-20           2.208205597e-11
 rho.Y(C13H28-2)                    4.168359562e-20           5.930753478e-11
 rho.Y(C14H30-2)                    4.976129865e-20           2.432271285e-10
 rho.Y(C15H32-2)                    1.657742326e-20           4.804897394e-10
 rho.Y(C16H34-2)                    4.822601508e-21           1.418535145e-09
 rho.Y(C17H36-2)                     1.40246832e-21           5.303691081e-09
 rho.Y(C18H38-2)                    2.276135064e-22           2.430132607e-08
 rho.Y(NC7H16)                      1.540123059e-22           1.978980845e-11
 rho.Y(NC8H18)                       3.45380993e-20           5.768337069e-12
 rho.Y(NC9H20)                      4.598462461e-20           1.894158981e-12
 rho.Y(NC10H22)                     2.950387809e-20           1.262077227e-12
 rho.Y(NC11H24)                     7.239153849e-20           1.228260674e-11
 rho.Y(NC12H26)                     4.021276509e-20           2.876381426e-11
 rho.Y(NC13H28)                     3.104993035e-20           1.018129953e-10
 rho.Y(NC14H30)                     3.078524548e-20           4.776811363e-10
 rho.Y(NC15H32)                     1.047649772e-20           1.236531477e-09
 rho.Y(NC16H34)                     2.153310876e-21           2.978144138e-09
 rho.Y(NC17H36)                     7.817926484e-22           1.366791209e-08
 rho.Y(C6H11CH3)                    2.321585787e-21            1.35890175e-11
 rho.Y(C6H11C2H5)                   2.934919531e-20           4.326517527e-12
 rho.Y(C6H11C3H7)                     4.3476613e-20           1.975383473e-12
 rho.Y(C6H11C4H9)                   2.168371258e-20           1.561966435e-12
 rho.Y(C6H11C5H11)                   4.08139186e-20           1.065808099e-11
 rho.Y(C6H11C6H13)                  2.932975657e-20           3.364095614e-11
 rho.Y(C6H11C7H15)                  1.422119928e-20           4.824646967e-11
 rho.Y(C6H11C8H17)                  1.074614891e-20           1.988547023e-10
 rho.Y(C6H11C9H19)                  7.355290007e-21           8.227585134e-10
 rho.Y(C6H11C10H21)                 1.409971056e-21           2.378636488e-09
 rho.Y(C6H11C11H23)                 3.775695731e-22           1.167011314e-08
 rho.Y(OHPEN)                       4.939948468e-22           9.147557879e-12
 rho.Y(HYDRIND)                     6.671625231e-21           3.385560993e-12
 rho.Y(DECALIN)                      1.94470162e-21            1.38097583e-12
 rho.Y(METHYLDECALIN-2)             5.001133983e-21           1.431397497e-12
 rho.Y(ETHYLDECALIN-2)              5.254251251e-21           3.746778351e-12
 rho.Y(PROPYLDECALIN-2)             8.629199849e-21           2.061661748e-11
 rho.Y(BUTYLDECALIN-2)              5.523563164e-21           4.881130985e-11
 rho.Y(PENTYLDECALIN-2)             5.203062988e-22           8.065678826e-11
 rho.Y(TRICYCLO-C10)                3.612969819e-22           2.141845805e-12
 rho.Y(TRICYCLO-C11)                5.381326873e-22           2.299002799e-12
 rho.Y(TRICYCLO-C12)                4.805919359e-22           3.305937086e-12
 rhoh                                2.01707735e-08            4.15912031e-12
 temp                               1.648459147e-11           5.605097374e-14
 RhoRT                               1.89174898e-10           1.867011051e-15
 divu                               5.269967141e-12           2.547289847e-07
 Y(O2)                              1.135480598e-13           4.873307289e-13
 Y(N2)                              3.752553823e-13           4.892508244e-13
 Y(C6H5CH3)                        3.173028454e-230           5.767163849e-11
 Y(C6H5C2H5)                        1.050406287e-22           2.418399857e-11
 Y(C6H5C3H7)                        5.321997343e-20           8.585935949e-12
 Y(C6H5C4H9)                        5.385607532e-20            3.48875509e-12
 Y(C6H5C5H11)                       1.295861148e-20           1.867947186e-12
 Y(C6H5C6H13)                       6.783087818e-21           4.109966147e-12
 Y(C6H5C7H15)                       1.858778234e-21           6.684648648e-12
 Y(C6H5C8H17)                        7.41787139e-22           1.475752934e-11
 Y(C6H5C9H19)                        5.52005734e-22           7.530186454e-11
 Y(NAPH)                            9.613389682e-22           3.981628506e-12
 Y(METHYLNAPH-1)                      2.6452719e-21           9.505316861e-12
 Y(ETHYLNAPH-1)                     3.464671845e-21           2.199487985e-11
 Y(PROPYLNAPH-1)                    2.234521796e-21           9.159734889e-11
 Y(INDANE)                          7.207457322e-23           2.596934787e-12
 Y(TETRA)                           3.514483628e-21           5.903430871e-12
 Y(METHYLTETRA-2)                   9.054732575e-21           3.650330349e-12
 Y(ETHYLTETRA-2)                    3.637940334e-21           1.552750723e-12
 Y(PROPYLTETRA-2)                   1.002336107e-21           1.776524227e-12
 Y(BUTYLTETRA-2)                    3.798697716e-22           6.098384864e-12
 Y(C7H16-2)                         1.947137484e-25            3.72175054e-11
 Y(C8H18-2)                         1.349731285e-20           9.418324286e-12
 Y(C9H20-2)                          6.14131974e-20           2.913494569e-12
 Y(C10H22-2)                        5.461377276e-20           1.533154196e-12
 Y(C11H24-2)                         1.06944527e-19           8.097987023e-12
 Y(C12H26-2)                        5.918270488e-20           2.215243368e-11
 Y(C13H28-2)                         3.49005078e-20           5.936418759e-11
 Y(C14H30-2)                        4.161281998e-20           2.431619061e-10
 Y(C15H32-2)                        1.386834859e-20           4.805514875e-10
 Y(C16H34-2)                        4.033838346e-21           1.418486795e-09
 Y(C17H36-2)                        1.173122979e-21           5.303673573e-09
 Y(C18H38-2)                        1.903930136e-22           2.430138558e-08
 Y(NC7H16)                          1.291266095e-22           1.983581311e-11
 Y(NC8H18)                          2.923504439e-20           5.837192916e-12
 Y(NC9H20)                          3.940026694e-20           1.940220276e-12
 Y(NC10H22)                         2.431414693e-20           1.243408829e-12
 Y(NC11H24)                         6.046193969e-20           1.226402144e-11
 Y(NC12H26)                         3.369540905e-20           2.881385433e-11
 Y(NC13H28)                         2.598686122e-20           1.018695754e-10
 Y(NC14H30)                         2.575459149e-20           4.777472772e-10
 Y(NC15H32)                         8.763177259e-21           1.236513137e-09
 Y(NC16H34)                          1.80115943e-21           2.978099612e-09
 Y(NC17H36)                         6.539508977e-22           1.366796379e-08
 Y(C6H11CH3)                         1.94852733e-21           1.363508708e-11
 Y(C6H11C2H5)                       2.494197701e-20           4.395631088e-12
 Y(C6H11C3H7)                       3.745142941e-20           2.034286905e-12
 Y(C6H11C4H9)                       1.867112079e-20           1.607890718e-12
 Y(C6H11C5H11)                      3.407984124e-20            1.06393812e-11
 Y(C6H11C6H13)                       2.45200115e-20           3.362239349e-11
 Y(C6H11C7H15)                      1.187934757e-20            4.81803546e-11
 Y(C6H11C8H17)                      8.988021751e-21           1.988360882e-10
 Y(C6H11C9H19)                      6.152363409e-21           8.227400696e-10
 Y(C6H11C10H21)                     1.179432427e-21           2.378696468e-09
 Y(C6H11C11H23)                     3.158263073e-22           1.167009697e-08
 Y(OHPEN)                           4.152963663e-22           9.193671279e-12
 Y(HYDRIND)                         5.656467824e-21           3.431566454e-12
 Y(DECALIN)                           1.6810378e-21           1.427114023e-12
 Y(METHYLDECALIN-2)                 4.317469207e-21           1.477301359e-12
 Y(ETHYLDECALIN-2)                  4.458296707e-21           3.800705494e-12
 Y(PROPYLDECALIN-2)                 7.211593225e-21           2.059805401e-11
 Y(BUTYLDECALIN-2)                  4.615396399e-21           4.875938609e-11
 Y(PENTYLDECALIN-2)                  4.35469395e-22           8.070260688e-11
 Y(TRICYCLO-C10)                    3.105029224e-22            2.20058249e-12
 Y(TRICYCLO-C11)                     4.46496585e-22           2.280427941e-12
 Y(TRICYCLO-C12)                    4.092993068e-22           3.365946424e-12
 spray_mass                         3.193578909e-20           4.013348421e-13
 spray_density                      3.270224803e-17           4.013348421e-13
 spray_num                                        0                         0
 spray_vol                          4.174677154e-23           4.023085303e-13
 spray_surf_area                    2.862971362e-19           2.680960672e-13
 spray_vol_frac                     4.274869406e-20           4.023085303e-13
 d10                                7.817097664e-17           1.340778984e-13
 d32                                7.827939685e-17           1.342638594e-13
 wall_film_hght                                   0                         0
 wall_film_mass                                   0                         0
 spray_temp                         1.023181539e-12           3.488285722e-15
 num_parcels                                      0                         0
 spray_x_vel                                      0                         0
 spray_y_vel                                      0                         0
 spray_mass_C6H5CH3                               0                         0
 spray_mass_C6H5C2H5                4.322673771e-25            2.45929393e-11
 spray_mass_C6H5C3H7                7.014750088e-22            8.88119601e-12
 spray_mass_C6H5C4H9                1.894450398e-21           3.351081307e-12
 spray_mass_C6H5C5H11               9.079341199e-22           1.256266215e-12
 spray_mass_C6H5C6H13               2.407095583e-22           4.920789423e-13
 spray_mass_C6H5C7H15               4.839006583e-23           2.055314587e-13
 spray_mass_C6H5C8H17               1.331243798e-23           1.085748825e-13
 spray_mass_C6H5C9H19               2.171349108e-24           4.190561083e-14
 spray_mass_NAPH                    3.547829346e-23           3.910154968e-13
 spray_mass_METHYLNAPH-1            5.149199313e-23           1.613651025e-13
 spray_mass_ETHYLNAPH-1             3.458648936e-23           8.451227495e-14
 spray_mass_PROPYLNAPH-1            8.271806126e-24           4.431927092e-14
 spray_mass_INDANE                  4.575342763e-24           2.362986632e-13
 spray_mass_TETRA                   6.746045636e-23            6.23981428e-12
 spray_mass_METHYLTETRA-2           2.934681717e-22           3.102924773e-12
 spray_mass_ETHYLTETRA-2            2.956653702e-22           1.347141321e-12
 spray_mass_PROPYLTETRA-2           7.992632669e-23            5.98521039e-13
 spray_mass_BUTYLTETRA-2            9.247620754e-24            2.41314222e-13
 spray_mass_C7H16-2                 5.283858136e-28           3.762203831e-11
 spray_mass_C8H18-2                 1.770683499e-22            9.67497407e-12
 spray_mass_C9H20-2                 2.878381737e-21            2.67506968e-12
 spray_mass_C10H22-2                5.273276405e-21           7.820700286e-13
 spray_mass_C11H24-2                2.324377521e-21           2.622617537e-13
 spray_mass_C12H26-2                7.361907452e-22           1.192235307e-13
 spray_mass_C13H28-2                2.936491175e-22           6.420869877e-14
 spray_mass_C14H30-2                2.084495144e-22           4.740867263e-14
 spray_mass_C15H32-2                 1.02570396e-22           4.255685909e-14
 spray_mass_C16H34-2                1.799117832e-23           2.361077793e-14
 spray_mass_C17H36-2                8.013312184e-24           4.264377332e-14
 spray_mass_C18H38-2                4.523643975e-25           2.166489073e-14
 spray_mass_C19H40-2                              0                         0
 spray_mass_C20H42-2                              0                         0
 spray_mass_NC7H16                  7.390175178e-25           2.020415081e-11
 spray_mass_NC8H18                  6.501898109e-22           6.011637647e-12
 spray_mass_NC9H20                   2.89657971e-21           1.707739653e-12
 spray_mass_NC10H22                 2.961306593e-21           4.980989475e-13
 spray_mass_NC11H24                 9.405043565e-22           1.788753419e-13
 spray_mass_NC12H26                 4.541221563e-22           1.065846359e-13
 spray_mass_NC13H28                 1.062927087e-22           3.419637346e-14
 spray_mass_NC14H30                 5.004442706e-23           2.318669614e-14
 spray_mass_NC15H32                 2.150669593e-23           2.341824787e-14
 spray_mass_NC16H34                  6.92763763e-24           2.765144246e-14
 spray_mass_NC17H36                 2.403993655e-24           3.837857604e-14
 spray_mass_NC18H38                               0                         0
 spray_mass_C6H11CH3                1.640164253e-23           1.394461401e-11
 spray_mass_C6H11C2H5               7.222320723e-22           4.544243862e-12
 spray_mass_C6H11C3H7               2.525175615e-21           1.512957766e-12
 spray_mass_C6H11C4H9               1.765617017e-21            5.30793669e-13
 spray_mass_C6H11C5H11               5.34772266e-22           1.860041804e-13
 spray_mass_C6H11C6H13              2.436046904e-22           1.194729412e-13
 spray_mass_C6H11C7H15              1.017432153e-22           4.759354115e-14
 spray_mass_C6H11C8H17              4.673570461e-23           3.866586486e-14
 spray_mass_C6H11C9H19              2.171349108e-23           3.527294939e-14
 spray_mass_C6H11C10H21             4.006656092e-24           3.198745591e-14
 spray_mass_C6H11C11H23             6.785465962e-25           3.249888794e-14
 spray_mass_OHPEN                   5.495116713e-24           9.522133904e-12
 spray_mass_HYDRIND                 2.136193932e-22           3.480731123e-12
 spray_mass_DECALIN                 1.630062795e-22           8.222921009e-13
 spray_mass_METHYLDECALIN-2           4.212417269e-22           7.331787685e-13
 spray_mass_ETHYLDECALIN-2           1.850816621e-22           2.966006965e-13
 spray_mass_PROPYLDECALIN-2           7.537683332e-23           1.382967867e-13
 spray_mass_BUTYLDECALIN-2           2.590109293e-23           5.974960401e-14
 spray_mass_PENTYLDECALIN-2           3.942032607e-24           5.414977559e-14
 spray_mass_TRICYCLO-C10            1.907039053e-23           1.957476758e-12
 spray_mass_TRICYCLO-C11            2.900948258e-23           7.174512912e-13
 spray_mass_TRICYCLO-C12            1.842415567e-23           3.298895834e-13

baperry2 · 2025-09-29T17:17:23Z

Source/Spray/Drag.H

          sumYSkin += Y_skin[fspec];
        }

-#ifndef USE_MANIFOLD_EOS


These ifdefs are necessary. Y_fuel_skin can't be computed in this way for manifold EOS

baperry2 · 2025-09-29T18:08:45Z

I think I'm ok with 1e-7 relative diffs for temperature after a few hundred timesteps here.

SreejithNREL added 3 commits September 5, 2025 14:57

1. Added a new index for reading molecular mass from table. 2. Update…

62fb5fc

…d Y2Wbar function to interpolate Wbar value. To be used with PR#9 of cmlm

Removed fixing Wbar to -1

56e0cd8

Added functionalities to 1. read a generic qty from manifold table gi…

330b2a6

…ven its index. 2. to store liquid fuel mass frcation values read from manifold table

SreejithNREL requested a review from baperry2 September 6, 2025 16:43

SreejithNREL added 4 commits September 6, 2025 10:46

merging

81115b8

fixed a bug so that GenericReadManifoldData is called only when manif…

2b1259d

…old model is used

clang tidyied

0faf78d

changed 'varn' to more meaningful variables names

8126415

baperry2 reviewed Sep 8, 2025

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SreejithNREL and others added 21 commits September 9, 2025 08:59

Changed function name to Y2GenericManifodlData based on PR review

a22d34d

used get_values instead of get_value in Y2GenericManifodlData

ea2002b

removed unnecessary string definition

04f4ba3

merging with dev

08e76fa

Error compiling..

86e6e07

still errors

4899bea

Added functionality to read species molecular weights from a metadata…

b21b986

… file for manifold models

works only with metadata file generated from cmlm. Refer PR#12 in cml…

55bf45f

…m repo

add some checks, reorganize code a bit in spray manifold stuff

bf49d1b

fix clang-tidy errors

c2a8d69

Merge branch 'development' into Incl_Mol_Weight

fa12941

remove unneeded function declaration in SprayInterpolation

552cd8e

Do body force stuff no matter what EOS for SpraySetup

9b9d63e

Manifold EOS species index/lookup funcs

a783f11

update approach for relationship between gas phase and liquid species

d76ed01

further refinements for spray setup for manifold

65fd559

further incremental changes

bc9769c

fix some clang-tidy warnings

2765188

removing error from get_func not defined as const

b970142

added a templated struct with functor for calcVaporState

93d2943

Completed Step 6 of spray documentation. Code compiles without errors…

942d4e4

… when verified using SingleDropEval.

baperry2 and others added 3 commits September 25, 2025 13:12

Merge branch 'development' into Incl_Mol_Weight

41e653c

spelling error fix

62c0301

dont const Y2WBAR function

873d242

baperry2 reviewed Sep 25, 2025

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baperry2 reviewed Sep 25, 2025

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baperry2 reviewed Sep 25, 2025

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addressing changes from PR

3631b20

baperry2 reviewed Sep 25, 2025

View reviewed changes

baperry2 added 9 commits September 25, 2025 16:58

delete commented code

21e1b5a

fix some clang-tidy issues

f0fea78

Merge branch 'development' into Incl_Mol_Weight

407e3b4

partial changes toward heat equation for manifold EOS

5ed2f5a

cleanup of manifold calcVaporState

db0ee28

temporary hack for fuel Cp for manifold EOS

b58c80d

cp in table for spray manifold eos

597f3ce

more refinement of cp indexing or lookups in spray manifold

743a881

return manifold RTY2Cp dummy function

2cec508

baperry2 requested a review from d-montgomery September 26, 2025 20:42

SreejithNREL added 2 commits September 26, 2025 15:07

merging bruce's commit on heat eqn

2a2175d

formatting ..

dc1260e

baperry2 reviewed Sep 26, 2025

View reviewed changes

reverting some statements to earlier commit

fbbc7ea

baperry2 reviewed Sep 29, 2025

View reviewed changes

baperry2 changed the title ~~Capability to read liquid fuel mass fraction from manifold table~~ Initial implementation of spray capability for Manifold EOS Sep 29, 2025

baperry2 added 2 commits September 29, 2025 11:53

initiaize mi_dot variable to 0 in spray

41193a3

bring back in EOS ifdef for cp_fuel calc

aac8e0c

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