reduce redundancy in bubbles (#1062)

hyeoksu-lee · Hyeoksu Lee · web-flow · commit e29d8e188a0f · 2025-11-27T08:43:41.000-05:00
Co-authored-by: Hyeoksu Lee &lt;hyeoksu@M4Pro.local&gt;
diff --git a/docs/documentation/case.md b/docs/documentation/case.md
@@ -745,6 +745,7 @@ Details of the transducer acoustic source model can be found in [Maeda and Colon
 | `mu_v` †	        | Real 		|	Viscosity |
 | `k_v` †	          | Real 		|	Thermal conductivity |
 | `cp_v` †	        | Real 		|	Specific heat capacity |
+| `D_v` †           | Real    | Vapor diffusivity in the gas |
 
 These options work only for gas-liquid two-component flows.
 Component indexes are required to be 1 for liquid and 2 for gas.
@@ -836,7 +837,6 @@ When ``polytropic = 'F'``, the gas compression is modeled as non-polytropic due
 | `T0`                  | Real    | Reference temperature                                     |
 | `x0`                  | Real    | Reference length                                          |
 | `Thost`               | Real    | Temperature of the surrounding liquid (host)              |
-| `diffcoefvap`         | Real    | Vapor diffusivity in the gas                              |
 
 - `nBubs_glb` Total number of bubbles. Their initial conditions need to be specified in the ./input/lag_bubbles.dat file. See the example cases for additional information.
 
diff --git a/examples/1D_qbmm/case.py b/examples/1D_qbmm/case.py
@@ -25,6 +25,7 @@
 M_n = 28.97
 mu_n = 1.8e-05
 k_n = 0.02556
+D = 0.242e-4
 
 # air props
 # gamma_gas = gamma_n
@@ -163,6 +164,7 @@
             "fluid_pp(2)%M_v": M_n,
             "fluid_pp(2)%mu_v": mu_n,
             "fluid_pp(2)%k_v": k_n,
+            "fluid_pp(2)%D_v": D,
             # Non-polytropic gas compression model AND/OR Tait EOS
             "pref": p0,
             "rhoref": rho0,
diff --git a/examples/3D_lagrange_bubblescreen/case.py b/examples/3D_lagrange_bubblescreen/case.py
@@ -155,7 +155,6 @@
             "lag_params%rho0": rho0,
             "lag_params%T0": T0,
             "lag_params%x0": x0,
-            "lag_params%diffcoefvap": diffVapor,
             "lag_params%Thost": T_host,
             # Fluids Physical Parameters
             # Host medium
@@ -177,6 +176,7 @@
             "fluid_pp(2)%M_v": MW_g,
             "fluid_pp(2)%k_v": k_g,
             "fluid_pp(2)%cp_v": cp_g,
+            "fluid_pp(2)%D_v": diffVapor,
         }
     )
 )
diff --git a/examples/3D_lagrange_shbubcollapse/case.py b/examples/3D_lagrange_shbubcollapse/case.py
@@ -157,7 +157,6 @@
             "lag_params%rho0": rho0,
             "lag_params%T0": T0,
             "lag_params%x0": x0,
-            "lag_params%diffcoefvap": diffVapor,
             "lag_params%Thost": T_host,
             # Fluids Physical Parameters
             # Host medium
@@ -179,6 +178,7 @@
             "fluid_pp(2)%M_v": MW_g,
             "fluid_pp(2)%k_v": k_g,
             "fluid_pp(2)%cp_v": cp_g,
+            "fluid_pp(2)%D_v": diffVapor,
         }
     )
 )
diff --git a/src/common/m_derived_types.fpp b/src/common/m_derived_types.fpp
@@ -357,6 +357,8 @@ module m_derived_types
         real(wp) :: k_v     !< Bubble constants (see Preston (2007), Ando (2010))
         real(wp) :: cp_v
         real(wp) :: G
+        real(wp) :: D_v     !< Vapor diffusivity in the gas
+
     end type physical_parameters
 
     type mpi_io_airfoil_ib_var
@@ -459,7 +461,6 @@ module m_derived_types
         real(wp) :: rho0             !< Reference density
         real(wp) :: T0, Thost        !< Reference temperature and host temperature
         real(wp) :: x0               !< Reference length
-        real(wp) :: diffcoefvap      !< Vapor diffusivity in the gas
 
     end type bubbles_lagrange_parameters
 
diff --git a/src/common/m_helper.fpp b/src/common/m_helper.fpp
@@ -116,9 +116,6 @@ contains
         real(wp), parameter :: k_poly = 1._wp !<
             !! polytropic index used to compute isothermal natural frequency
 
-        real(wp), parameter :: Ru = 8314._wp !<
-            !! universal gas constant
-
         rhol0 = rhoref
         pl0 = pref
 #ifdef MFC_SIMULATION
@@ -154,15 +151,15 @@ contains
         if (thermal == 2) gamma_m = 1._wp
 
         temp = 293.15_wp
-        D_m = 0.242e-4_wp
+        D_m = fluid_pp(2)%D_v
         uu = sqrt(pl0/rhol0)
 
         omega_ref = 3._wp*k_poly*Ca + 2._wp*(3._wp*k_poly - 1._wp)/Web
 
             !!! thermal properties !!!
         ! gas constants
-        R_n = Ru/M_n
-        R_v = Ru/M_v
+        R_n = R_uni/M_n
+        R_v = R_uni/M_v
         ! phi_vn & phi_nv (phi_nn = phi_vv = 1)
         phi_vn = (1._wp + sqrt(mu_v/mu_n)*(M_n/M_v)**(0.25_wp))**2 &
                  /(sqrt(8._wp)*sqrt(1._wp + M_v/M_n))
diff --git a/src/post_process/m_global_parameters.fpp b/src/post_process/m_global_parameters.fpp
@@ -424,6 +424,7 @@ contains
             fluid_pp(i)%qv = 0._wp
             fluid_pp(i)%qvp = 0._wp
             fluid_pp(i)%G = dflt_real
+            fluid_pp(i)%D_v = dflt_real
         end do
 
         ! Formatted database file(s) structure parameters
diff --git a/src/post_process/m_mpi_proxy.fpp b/src/post_process/m_mpi_proxy.fpp
@@ -134,6 +134,7 @@ contains
             call MPI_BCAST(fluid_pp(i)%qv, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
             call MPI_BCAST(fluid_pp(i)%qvp, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
             call MPI_BCAST(fluid_pp(i)%G, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
+            call MPI_BCAST(fluid_pp(i)%D_v, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
         end do
 
         #:for VAR in [ 'pref', 'rhoref', 'R0ref', 'poly_sigma', 'Web', 'Ca', &
diff --git a/src/pre_process/m_global_parameters.fpp b/src/pre_process/m_global_parameters.fpp
@@ -584,6 +584,7 @@ contains
             fluid_pp(i)%qv = 0._wp
             fluid_pp(i)%qvp = 0._wp
             fluid_pp(i)%G = 0._wp
+            fluid_pp(i)%D_v = dflt_real
         end do
 
         Bx0 = dflt_real
diff --git a/src/pre_process/m_mpi_proxy.fpp b/src/pre_process/m_mpi_proxy.fpp
@@ -144,15 +144,15 @@ contains
         ! Fluids physical parameters
         do i = 1, num_fluids_max
             #:for VAR in [ 'gamma','pi_inf','mul0','ss','pv','gamma_v','M_v',  &
-                & 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp' ]
+                & 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp', 'D_v' ]
                 call MPI_BCAST(fluid_pp(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
             #:endfor
         end do
 
         ! Simplex noise  and fluid physical parameters
         do i = 1, num_fluids_max
             #:for VAR in [ 'gamma','pi_inf','mul0','ss','pv','gamma_v','M_v',  &
-                & 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp' ]
+                & 'mu_v','k_v', 'G', 'cv', 'qv', 'qvp', 'D_v' ]
                 call MPI_BCAST(fluid_pp(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
             #:endfor
 
diff --git a/src/simulation/m_bubbles_EL.fpp b/src/simulation/m_bubbles_EL.fpp
@@ -178,7 +178,7 @@ contains
         cp_n = fluid_pp(id_host)%cp_v*(T0/(c0*c0))
         R_v = (R_uni/fluid_pp(id_bubbles)%M_v)*(T0/(c0*c0))
         R_n = (R_uni/fluid_pp(id_host)%M_v)*(T0/(c0*c0))
-        lag_params%diffcoefvap = lag_params%diffcoefvap/(x0*c0)
+        fluid_pp(id_bubbles)%D_v = fluid_pp(id_bubbles)%D_v/(x0*c0)
         ss = fluid_pp(id_host)%ss/(rho0*x0*c0*c0)
         mul0 = fluid_pp(id_host)%mul0/(rho0*x0*c0)
 
@@ -386,9 +386,9 @@ contains
         call s_transcoeff(1._wp, PeT, Re_trans, Im_trans)
         gas_betaT(bub_id) = Re_trans*(heatflag)*kparticle
 
-        PeG = bub_R0(bub_id)**2._wp*omegaN_local/lag_params%diffcoefvap
+        PeG = bub_R0(bub_id)**2._wp*omegaN_local/fluid_pp(num_fluids)%D_v
         call s_transcoeff(1._wp, PeG, Re_trans, Im_trans)
-        gas_betaC(bub_id) = Re_trans*(massflag)*lag_params%diffcoefvap
+        gas_betaC(bub_id) = Re_trans*(massflag)*fluid_pp(num_fluids)%D_v
 
         if (gas_mg(bub_id) <= 0._wp) then
             call s_mpi_abort("Negative gas mass in the bubble, check if the bubble is in the domain.")
diff --git a/src/simulation/m_global_parameters.fpp b/src/simulation/m_global_parameters.fpp
@@ -682,6 +682,7 @@ contains
             fluid_pp(i)%k_v = dflt_real
             fluid_pp(i)%cp_v = dflt_real
             fluid_pp(i)%G = 0._wp
+            fluid_pp(i)%D_v = dflt_real
         end do
 
         ! Tait EOS
@@ -819,7 +820,6 @@ contains
         lag_params%T0 = dflt_real
         lag_params%Thost = dflt_real
         lag_params%x0 = dflt_real
-        lag_params%diffcoefvap = dflt_real
 
         ! Continuum damage model
         tau_star = dflt_real
diff --git a/src/simulation/m_mpi_proxy.fpp b/src/simulation/m_mpi_proxy.fpp
@@ -140,7 +140,7 @@ contains
                 call MPI_BCAST(lag_params%${VAR}$, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
             #:endfor
 
-            #:for VAR in [ 'c0', 'rho0', 'T0', 'x0', 'diffcoefvap', 'epsilonb','charwidth', &
+            #:for VAR in [ 'c0', 'rho0', 'T0', 'x0', 'epsilonb','charwidth', &
                 & 'valmaxvoid', 'Thost']
                 call MPI_BCAST(lag_params%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
             #:endfor
@@ -189,7 +189,7 @@ contains
 
         do i = 1, num_fluids_max
             #:for VAR in [ 'gamma','pi_inf','mul0','ss','pv','gamma_v','M_v',  &
-                & 'mu_v','k_v', 'cp_v','G', 'cv', 'qv', 'qvp' ]
+                & 'mu_v','k_v', 'cp_v','G', 'cv', 'qv', 'qvp', 'D_v' ]
                 call MPI_BCAST(fluid_pp(i)%${VAR}$, 1, mpi_p, 0, MPI_COMM_WORLD, ierr)
             #:endfor
             call MPI_BCAST(fluid_pp(i)%Re(1), 2, mpi_p, 0, MPI_COMM_WORLD, ierr)
diff --git a/toolchain/mfc/run/case_dicts.py b/toolchain/mfc/run/case_dicts.py
@@ -151,7 +151,7 @@ def analytic(self):
     PRE_PROCESS[f'fluid_rho({f_id})'] = ParamType.REAL
 
     for real_attr in ["gamma", "pi_inf", "mul0", "ss", "pv", "gamma_v", "M_v",
-                      "mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp" ]:
+                      "mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp", "D_v" ]:
         PRE_PROCESS[f"fluid_pp({f_id})%{real_attr}"] = ParamType.REAL
 
     PRE_PROCESS[f"simplex_params%perturb_dens({f_id})"] = ParamType.LOG
@@ -349,7 +349,7 @@ def analytic(self):
 for var in [ 'solver_approach', 'cluster_type', 'smooth_type', 'nBubs_glb']:
     SIMULATION[f'lag_params%{var}'] = ParamType.INT
 
-for var in [ 'epsilonb', 'valmaxvoid', 'charwidth', 'diffcoefvap',
+for var in [ 'epsilonb', 'valmaxvoid', 'charwidth',
             'c0', 'rho0', 'T0', 'x0', 'Thost' ]:
     SIMULATION[f'lag_params%{var}'] = ParamType.REAL
 
@@ -414,7 +414,7 @@ def analytic(self):
 
 for f_id in range(1,10+1):
     for real_attr in ["gamma", "pi_inf", "mul0", "ss", "pv", "gamma_v", "M_v",
-                      "mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp" ]:
+                      "mu_v", "k_v", "cp_v", "G", "cv", "qv", "qvp", 'D_v' ]:
         SIMULATION[f"fluid_pp({f_id})%{real_attr}"] = ParamType.REAL
 
     for re_id in [1, 2]:
@@ -534,7 +534,7 @@ def analytic(self):
         POST_PROCESS[f'{append}({fl_id})'] = ty
 
     for real_attr in ["gamma", "pi_inf", "ss", "pv", "gamma_v", "M_v", "mu_v", "k_v", "cp_v",
-                      "G", "mul0", "cv", "qv", "qvp" ]:
+                      "G", "mul0", "cv", "qv", "qvp", "D_v" ]:
         POST_PROCESS[f"fluid_pp({fl_id})%{real_attr}"] = ParamType.REAL
 
 IGNORE = ["cantera_file", "chemistry"]
diff --git a/toolchain/mfc/test/case.py b/toolchain/mfc/test/case.py
@@ -105,7 +105,6 @@
     'lag_params%rho0'                  : 1000.,
     'lag_params%T0'                    : 298.,
     'lag_params%x0'                    : 1.,
-    'lag_params%diffcoefvap'           : 2.5e-5,
     'lag_params%Thost'                 : 298.,
 }
 
diff --git a/toolchain/mfc/test/cases.py b/toolchain/mfc/test/cases.py
@@ -518,8 +518,9 @@ def alter_bubbles(dimInfo):
                 'fluid_pp(1)%ss' : 0.07275,'fluid_pp(1)%pv' : 2338.8,'fluid_pp(1)%gamma_v' : 1.33,
                 'fluid_pp(1)%M_v' : 18.02,'fluid_pp(1)%mu_v' : 8.816e-06,'fluid_pp(1)%k_v' : 0.019426,
                 'fluid_pp(2)%gamma_v' : 1.4,'fluid_pp(2)%M_v' : 28.97,'fluid_pp(2)%mu_v' : 1.8e-05,
-                'fluid_pp(2)%k_v' : 0.02556, 'patch_icpp(1)%alpha_rho(1)': 0.96, 'patch_icpp(1)%alpha(1)':
-                4e-02, 'patch_icpp(2)%alpha_rho(1)': 0.96, 'patch_icpp(2)%alpha(1)': 4e-02,  'patch_icpp(3)%alpha_rho(1)': 0.96,
+                'fluid_pp(2)%k_v' : 0.02556, 'fluid_pp(2)%D_v' : 0.242e-4, 
+                'patch_icpp(1)%alpha_rho(1)': 0.96, 'patch_icpp(1)%alpha(1)': 4e-02, 
+                'patch_icpp(2)%alpha_rho(1)': 0.96, 'patch_icpp(2)%alpha(1)': 4e-02,  'patch_icpp(3)%alpha_rho(1)': 0.96,
                 'patch_icpp(3)%alpha(1)': 4e-02, 'patch_icpp(1)%pres': 1.0, 'patch_icpp(2)%pres': 1.0,
                 'patch_icpp(3)%pres': 1.0, 'acoustic(1)%support': 1, 'acoustic(1)%wavelength': 0.25
             })
@@ -846,7 +847,8 @@ def alter_lag_bubbles(dimInfo):
                         'fluid_pp(1)%pv' : 2338.8,'fluid_pp(1)%gamma_v' : 1.33, 'fluid_pp(1)%M_v' : 18.02,
                         'fluid_pp(1)%mu_v' : 8.816e-06,'fluid_pp(1)%k_v' : 0.019426, 'fluid_pp(1)%cp_v' : 2.1e3,
                         'fluid_pp(2)%gamma_v' : 1.4,'fluid_pp(2)%M_v' : 28.97, 'fluid_pp(2)%mu_v' : 1.8e-05,
-                        'fluid_pp(2)%k_v' : 0.02556, 'fluid_pp(2)%cp_v' : 1.e3, 'patch_icpp(1)%alpha_rho(1)': 0.96,
+                        'fluid_pp(2)%k_v' : 0.02556, 'fluid_pp(2)%cp_v' : 1.e3, 'fluid_pp(2)%D_v' : 2.5e-5, 
+                        'patch_icpp(1)%alpha_rho(1)': 0.96,
                         'patch_icpp(1)%alpha(1)': 4e-02, 'patch_icpp(1)%alpha_rho(2)': 0., 'patch_icpp(1)%alpha(2)': 0.,
                         'patch_icpp(2)%alpha_rho(1)': 0.96, 'patch_icpp(2)%alpha(1)': 4e-02, 'patch_icpp(2)%alpha_rho(2)': 0.,
                         'patch_icpp(2)%alpha(2)': 0.,  'patch_icpp(3)%alpha_rho(1)': 0.96, 'patch_icpp(3)%alpha(1)': 4e-02,

Original file line number	Diff line number	Diff line change
`@@ -155,7 +155,6 @@`
`155`	`155`	`"lag_params%rho0": rho0,`
`156`	`156`	`"lag_params%T0": T0,`
`157`	`157`	`"lag_params%x0": x0,`
`158`		`- "lag_params%diffcoefvap": diffVapor,`
`159`	`158`	`"lag_params%Thost": T_host,`
`160`	`159`	`# Fluids Physical Parameters`
`161`	`160`	`# Host medium`
`@@ -177,6 +176,7 @@`
`177`	`176`	`"fluid_pp(2)%M_v": MW_g,`
`178`	`177`	`"fluid_pp(2)%k_v": k_g,`
`179`	`178`	`"fluid_pp(2)%cp_v": cp_g,`
	`179`	`+ "fluid_pp(2)%D_v": diffVapor,`
`180`	`180`	`}`
`181`	`181`	`)`
`182`	`182`	`)`
Original file line number	Diff line number	Diff line change
`@@ -157,7 +157,6 @@`
`157`	`157`	`"lag_params%rho0": rho0,`
`158`	`158`	`"lag_params%T0": T0,`
`159`	`159`	`"lag_params%x0": x0,`
`160`		`- "lag_params%diffcoefvap": diffVapor,`
`161`	`160`	`"lag_params%Thost": T_host,`
`162`	`161`	`# Fluids Physical Parameters`
`163`	`162`	`# Host medium`
`@@ -179,6 +178,7 @@`
`179`	`178`	`"fluid_pp(2)%M_v": MW_g,`
`180`	`179`	`"fluid_pp(2)%k_v": k_g,`
`181`	`180`	`"fluid_pp(2)%cp_v": cp_g,`
	`181`	`+ "fluid_pp(2)%D_v": diffVapor,`
`182`	`182`	`}`
`183`	`183`	`)`
`184`	`184`	`)`