open-atmos · mattldawson · May 27, 2023 · May 11, 2023 · May 11, 2023 · May 12, 2023
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -216,6 +216,7 @@ add_test(test_rxn_first_order_loss ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/te
 add_test(test_rxn_HL_phase_transfer ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_HL_phase_transfer.sh ${MPI_TEST_FLAG})
 add_test(test_rxn_photolysis ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_photolysis.sh ${MPI_TEST_FLAG})
 add_test(test_rxn_SIMPOL_phase_transfer ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_SIMPOL_phase_transfer.sh ${MPI_TEST_FLAG})
+add_test(test_rxn_surface ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_surface.sh ${MPI_TEST_FLAG})
 add_test(test_rxn_ternary_chemical_activation ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_ternary_chemical_activation.sh ${MPI_TEST_FLAG})
 add_test(test_rxn_troe ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_troe.sh ${MPI_TEST_FLAG})
 add_test(test_rxn_wennberg_no_ro2 ${CMAKE_BINARY_DIR}/test_run/unit_rxn_data/test_wennberg_no_ro2.sh ${MPI_TEST_FLAG})
@@ -258,6 +259,7 @@ set(REACTIONS_F_SRC
 	src/rxns/rxn_HL_phase_transfer.F90
 	src/rxns/rxn_photolysis.F90
   src/rxns/rxn_SIMPOL_phase_transfer.F90
+  src/rxns/rxn_surface.F90
   src/rxns/rxn_ternary_chemical_activation.F90
   src/rxns/rxn_troe.F90
   src/rxns/rxn_wennberg_no_ro2.F90
@@ -275,6 +277,7 @@ set(REACTIONS_C_SRC
 	src/rxns/rxn_HL_phase_transfer.c
 	src/rxns/rxn_photolysis.c
   src/rxns/rxn_SIMPOL_phase_transfer.c
+  src/rxns/rxn_surface.c
   src/rxns/rxn_ternary_chemical_activation.c
 	src/rxns/rxn_troe.c
   src/rxns/rxn_wennberg_no_ro2.c
@@ -535,6 +538,8 @@ add_executable(test_rxn_photolysis test/unit_rxn_data/test_rxn_photolysis.F90)
 target_link_libraries(test_rxn_photolysis camplib)
 add_executable(test_rxn_SIMPOL_phase_transfer test/unit_rxn_data/test_rxn_SIMPOL_phase_transfer.F90)
 target_link_libraries(test_rxn_SIMPOL_phase_transfer camplib)
+add_executable(test_rxn_surface test/unit_rxn_data/test_rxn_surface.F90)
+target_link_libraries(test_rxn_surface camplib)
 add_executable(test_rxn_ternary_chemical_activation test/unit_rxn_data/test_rxn_ternary_chemical_activation.F90)
 target_link_libraries(test_rxn_ternary_chemical_activation camplib)
 add_executable(test_rxn_troe test/unit_rxn_data/test_rxn_troe.F90)

diff --git a/Dockerfile.debug b/Dockerfile.debug
@@ -9,6 +9,7 @@ RUN dnf -y update \
         lapack-devel \
         openblas-devel \
         cmake \
+        valgrind \
     && dnf clean all
 
 # Build the SuiteSparse libraries for sparse matrix support
@@ -37,8 +38,9 @@ RUN tar -zxvf /camp/cvode-3.4-alpha.tar.gz \
     && cd cvode-3.4-alpha \
     && mkdir build \
     && cd build \
-    && cmake -D CMAKE_BUILD_TYPE=release \
-             -D CMAKE_C_FLAGS_DEBUG="-g -pg" \
+    && cmake -D CMAKE_BUILD_TYPE=debug \
+             -D CMAKE_C_FLAGS_DEBUG="-pg -Og" \
+             -D CMAKE_FORTRAN_FLAGS_DEBUG="-pg -Og -fbacktrace" \
              -D CMAKE_EXE_LINKER_FLAGS_DEBUG="-pg" \
              -D CMAKE_MODULE_LINKER_FLAGS_DEBUG="-pg" \
              -D CMAKE_SHARED_LINKER_FLAGS_DEBUG="-pg" \
@@ -56,9 +58,9 @@ ENV PATH="${PATH}:/usr/local/jsonfortran-gnu-6.1.0/lib"
  RUN mkdir build \
     && cd build \
     && export JSON_FORTRAN_HOME="/usr/local/jsonfortran-gnu-6.1.0" \
-    && cmake -D CMAKE_BUILD_TYPE=release \
-             -D CMAKE_C_FLAGS_DEBUG="-pg" \
-             -D CMAKE_Fortran_FLAGS_DEBUG="-pg" \
+    && cmake -D CMAKE_BUILD_TYPE=debug \
+             -D CMAKE_C_FLAGS="-pg -Og" \
+             -D CMAKE_Fortran_FLAGS="-pg -Og -fbacktrace" \
              -D CMAKE_MODULE_LINKER_FLAGS="-pg" \
              -D ENABLE_GSL:BOOL=TRUE \
              -D ENABLE_DEBUG:BOOL=TRUE \

diff --git a/doc/references.bib b/doc/references.bib
@@ -1,3 +1,17 @@
+@article{Tie2003,
+author = {Tie, Xuexi and Emmons, Louisa and Horowitz, Larry and Brasseur, Guy and Ridley, Brian and Atlas, Elliot and Stround, Craig and Hess, Peter and Klonecki, Andrzej and Madronich, Sasha and Talbot, Robert and Dibb, Jack},
+title = {Effect of sulfate aerosol on tropospheric NOx and ozone budgets: Model simulations and TOPSE evidence},
+journal = {Journal of Geophysical Research: Atmospheres},
+volume = {108},
+number = {D4},
+pages = {},
+keywords = {tropospheric aerosol, NOx, ozone},
+doi = {https://doi.org/10.1029/2001JD001508},
+url = {https://agupubs.onlinelibrary.wiley.com/doi/abs/10.1029/2001JD001508},
+eprint = {https://agupubs.onlinelibrary.wiley.com/doi/pdf/10.1029/2001JD001508},
+abstract = {The distributions of NOx and O3 are analyzed during TOPSE (Tropospheric Ozone Production about the Spring Equinox). In this study these data are compared with the calculations of a global chemical/transport model (Model for OZone And Related chemical Tracers (MOZART)). Specifically, the effect that hydrolysis of N2O5 on sulfate aerosols has on tropospheric NOx and O3 budgets is studied. The results show that without this heterogeneous reaction, the model significantly overestimates NOx concentrations at high latitudes of the Northern Hemisphere (NH) in winter and spring in comparison to the observations during TOPSE; with this reaction, modeled NOx concentrations are close to the measured values. This comparison provides evidence that the hydrolysis of N2O5 on sulfate aerosol plays an important role in controlling the tropospheric NOx and O3 budgets. The calculated reduction of NOx attributed to this reaction is 80 to 90\% in winter at high latitudes over North America. Because of the reduction of NOx, O3 concentrations are also decreased. The maximum O3 reduction occurs in spring although the maximum NOx reduction occurs in winter when photochemical O3 production is relatively low. The uncertainties related to uptake coefficient and aerosol loading in the model is analyzed. The analysis indicates that the changes in NOx due to these uncertainties are much smaller than the impact of hydrolysis of N2O5 on sulfate aerosol. The effect that hydrolysis of N2O5 on global NOx and O3 budgets are also assessed by the model. The results suggest that in the Northern Hemisphere, the average NOx budget decreases 50\% due to this reaction in winter and 5\% in summer. The average O3 budget is reduced by 8\% in winter and 6\% in summer. In the Southern Hemisphere (SH), the sulfate aerosol loading is significantly smaller than in the Northern Hemisphere. As a result, sulfate aerosol has little impact on NOx and O3 budgets of the Southern Hemisphere.},
+year = {2003}
+}
 @article{Wennberg2018,
 author = {Wennberg, Paul O. and Bates, Kelvin H. and Crounse, John D. and Dodson, Leah G. and McVay, Renee C. and Mertens, Laura A. and Nguyen, Tran B. and Praske, Eric and Schwantes, Rebecca H. and Smarte, Matthew D. and St Clair, Jason M. and Teng, Alexander P. and Zhang, Xuan and Seinfeld, John H.},
 title = {Gas-Phase Reactions of Isoprene and Its Major Oxidation Products},

diff --git a/src/rxn_data.F90 b/src/rxn_data.F90
@@ -46,6 +46,7 @@
 !!   - \subpage camp_rxn_photolysis "photolysis"
 !!   - \subpage camp_rxn_SIMPOL_phase_transfer "SIMPOL.1 phase transfer"
 !!   - \subpage camp_rxn_ternary_chemical_activation "ternary chemical activation"
+!!   - \subpage camp_rxn_surface "surface (heterogeneous)"
 !!   - \subpage camp_rxn_troe "Troe (fall-off)"
 !!   - \subpage camp_rxn_wennberg_no_ro2 "Wennberg NO + RO2"
 !!   - \subpage camp_rxn_wennberg_tunneling "Wennberg tunneling"

diff --git a/src/rxn_factory.F90 b/src/rxn_factory.F90
@@ -192,6 +192,7 @@ module camp_rxn_factory
   use camp_rxn_HL_phase_transfer
   use camp_rxn_photolysis
   use camp_rxn_SIMPOL_phase_transfer
+  use camp_rxn_surface
   use camp_rxn_ternary_chemical_activation
   use camp_rxn_troe
   use camp_rxn_wennberg_no_ro2
@@ -222,6 +223,7 @@ module camp_rxn_factory
   integer(kind=i_kind), parameter, public :: RXN_TERNARY_CHEMICAL_ACTIVATION = 15
   integer(kind=i_kind), parameter, public :: RXN_WENNBERG_TUNNELING = 16
   integer(kind=i_kind), parameter, public :: RXN_WENNBERG_NO_RO2 = 17
+  integer(kind=i_kind), parameter, public :: RXN_SURFACE = 19
 
   !> Factory type for chemical reactions
   !!
@@ -293,6 +295,8 @@ function create(this, type_name) result (new_obj)
         new_obj => rxn_wennberg_tunneling_t()
       case ("WENNBERG_NO_RO2")
         new_obj => rxn_wennberg_no_ro2_t()
+      case ("SURFACE")
+        new_obj => rxn_surface_t()
       case default
         call die_msg(367114278, "Unknown chemical reaction type: " &
                 //type_name)
@@ -302,7 +306,7 @@ end function create
 
 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
 
-  !> Load an aerosol represenation from input data
+  !> Load a reaction from input data
 #ifdef CAMP_USE_JSON
   function load(this, json, j_obj) result (new_obj)
 
@@ -388,6 +392,8 @@ integer(kind=i_kind) function get_type(this, rxn) result (rxn_type)
         rxn_type = RXN_WENNBERG_TUNNELING
       type is (rxn_wennberg_no_ro2_t)
         rxn_type = RXN_WENNBERG_NO_RO2
+      type is (rxn_surface_t)
+        rxn_type = RXN_SURFACE
       class default
         call die_msg(343941184, "Unknown reaction type.")
     end select
@@ -509,6 +515,8 @@ subroutine bin_pack(this, rxn, buffer, pos, comm)
         rxn_type = RXN_WENNBERG_TUNNELING
       type is (rxn_wennberg_no_ro2_t)
         rxn_type = RXN_WENNBERG_NO_RO2
+      type is (rxn_surface_t)
+        rxn_type = RXN_SURFACE
       class default
         call die_msg(343941184, "Trying to pack reaction of unknown type.")
     end select
@@ -572,6 +580,8 @@ function bin_unpack(this, buffer, pos, comm) result (rxn)
         rxn => rxn_wennberg_tunneling_t()
       case (RXN_WENNBERG_NO_RO2)
         rxn => rxn_wennberg_no_ro2_t()
+      case (RXN_SURFACE)
+        rxn => rxn_surface_t()
       case default
         call die_msg(659290342, &
                 "Trying to unpack reaction of unknown type:"// &

diff --git a/src/rxn_solver.c b/src/rxn_solver.c
@@ -31,6 +31,7 @@
 #define RXN_TERNARY_CHEMICAL_ACTIVATION 15
 #define RXN_WENNBERG_TUNNELING 16
 #define RXN_WENNBERG_NO_RO2 17
+#define RXN_SURFACE 19
 
 /** \brief Get the Jacobian elements used by a particular reaction
  *
@@ -90,6 +91,10 @@ void rxn_get_used_jac_elem(ModelData *model_data, Jacobian *jac) {
         rxn_SIMPOL_phase_transfer_get_used_jac_elem(model_data, rxn_int_data,
                                                     rxn_float_data, jac);
         break;
+      case RXN_SURFACE:
+        rxn_surface_get_used_jac_elem(model_data, rxn_int_data,
+                                      rxn_float_data, jac);
+        break;
       case RXN_TERNARY_CHEMICAL_ACTIVATION:
         rxn_ternary_chemical_activation_get_used_jac_elem(rxn_int_data,
                                                           rxn_float_data, jac);
@@ -175,6 +180,10 @@ void rxn_update_ids(ModelData *model_data, int *deriv_ids, Jacobian jac) {
         rxn_SIMPOL_phase_transfer_update_ids(model_data, deriv_ids, jac,
                                              rxn_int_data, rxn_float_data);
         break;
+      case RXN_SURFACE:
+        rxn_surface_update_ids(model_data, deriv_ids, jac,
+                               rxn_int_data, rxn_float_data);
+        break;
       case RXN_TERNARY_CHEMICAL_ACTIVATION:
         rxn_ternary_chemical_activation_update_ids(
             model_data, deriv_ids, jac, rxn_int_data, rxn_float_data);
@@ -262,6 +271,10 @@ void rxn_update_env_state(ModelData *model_data) {
         rxn_SIMPOL_phase_transfer_update_env_state(
             model_data, rxn_int_data, rxn_float_data, rxn_env_data);
         break;
+      case RXN_SURFACE:
+        rxn_surface_update_env_state(
+            model_data, rxn_int_data, rxn_float_data, rxn_env_data);
+        break;
       case RXN_TERNARY_CHEMICAL_ACTIVATION:
         rxn_ternary_chemical_activation_update_env_state(
             model_data, rxn_int_data, rxn_float_data, rxn_env_data);
@@ -363,6 +376,11 @@ void rxn_calc_deriv(ModelData *model_data, TimeDerivative time_deriv,
             model_data, time_deriv, rxn_int_data, rxn_float_data, rxn_env_data,
             time_step);
         break;
+      case RXN_SURFACE:
+        rxn_surface_calc_deriv_contrib(
+            model_data, time_deriv, rxn_int_data, rxn_float_data, rxn_env_data,
+            time_step);
+        break;
       case RXN_TERNARY_CHEMICAL_ACTIVATION:
         rxn_ternary_chemical_activation_calc_deriv_contrib(
             model_data, time_deriv, rxn_int_data, rxn_float_data, rxn_env_data,
@@ -509,6 +527,11 @@ void rxn_calc_jac(ModelData *model_data, Jacobian jac, realtype time_step) {
                                                    rxn_int_data, rxn_float_data,
                                                    rxn_env_data, time_step);
         break;
+      case RXN_SURFACE:
+        rxn_surface_calc_jac_contrib(model_data, jac,
+                                     rxn_int_data, rxn_float_data,
+                                     rxn_env_data, time_step);
+        break;
       case RXN_TERNARY_CHEMICAL_ACTIVATION:
         rxn_ternary_chemical_activation_calc_jac_contrib(
             model_data, jac, rxn_int_data, rxn_float_data, rxn_env_data,
@@ -763,6 +786,9 @@ void rxn_print_data(void *solver_data) {
       case RXN_SIMPOL_PHASE_TRANSFER:
         rxn_SIMPOL_phase_transfer_print(rxn_int_data, rxn_float_data);
         break;
+      case RXN_SURFACE:
+        rxn_surface_print(rxn_int_data, rxn_float_data);
+        break;
       case RXN_TERNARY_CHEMICAL_ACTIVATION:
         rxn_ternary_chemical_activation_print(rxn_int_data, rxn_float_data);
         break;

diff --git a/src/rxns.h b/src/rxns.h
@@ -249,6 +249,30 @@ void rxn_SIMPOL_phase_transfer_calc_jac_contrib(ModelData *model_data,
                                                 realtype time_step);
 #endif
 
+// surface
+void rxn_surface_get_used_jac_elem(ModelData *model_data,
+                                   int *rxn_int_data,
+                                   double *rxn_float_data,
+                                   Jacobian *jac);
+void rxn_surface_update_ids(ModelData *model_data, int *deriv_ids,
+                            Jacobian jac, int *rxn_int_data,
+                            double *rxn_float_data);
+void rxn_surface_update_env_state(ModelData *model_data,
+                                  int *rxn_int_data,
+                                  double *rxn_float_data,
+                                  double *rxn_env_data);
+void rxn_surface_print(int *rxn_int_data, double *rxn_float_data);
+#ifdef CAMP_USE_SUNDIALS
+void rxn_surface_calc_deriv_contrib(
+    ModelData *model_data, TimeDerivative time_deriv, int *rxn_int_data,
+    double *rxn_float_data, double *rxn_env_data, realtype time_step);
+void rxn_surface_calc_jac_contrib(ModelData *model_data,
+                                  Jacobian jac, int *rxn_int_data,
+                                  double *rxn_float_data,
+                                  double *rxn_env_data,
+                                  realtype time_step);
+#endif
+
 // ternary_chemical_activation
 void rxn_ternary_chemical_activation_get_used_jac_elem(int *rxn_int_data,
                                                        double *rxn_float_data,

diff --git a/src/rxns/rxn_HL_phase_transfer.c b/src/rxns/rxn_HL_phase_transfer.c
@@ -56,7 +56,7 @@
 #define AERO_REP_ID_(x) (int_data[PHASE_INT_LOC_(x) + 3] - 1)
 #define NUM_AERO_PHASE_JAC_ELEM_(x) (int_data[PHASE_INT_LOC_(x) + 4])
 #define PHASE_JAC_ID_(x, s, e) \
-  int_data[PHASE_INT_LOC_(x) + 5 + s * NUM_AERO_PHASE_JAC_ELEM_(x) + e]
+  int_data[PHASE_INT_LOC_(x) + 5 + (s) * NUM_AERO_PHASE_JAC_ELEM_(x) + e]
 #define SMALL_WATER_CONC_(x) (float_data[PHASE_REAL_LOC_(x)])
 #define EFF_RAD_JAC_ELEM_(x, e) float_data[PHASE_REAL_LOC_(x) + 1 + e]
 #define NUM_CONC_JAC_ELEM_(x, e) \
@@ -230,7 +230,7 @@ void rxn_HL_phase_transfer_update_env_state(ModelData *model_data,
 #endif
 
   // save the mean free path [m] for calculating condensation rates
-  MFP_M_ = mean_free_path__m(DIFF_COEFF_, TEMPERATURE_K_, ALPHA_);
+  MFP_M_ = mean_free_path__m(DIFF_COEFF_, TEMPERATURE_K_, MW_);
 
   // Calculate the Henry's Law equilibrium rate constant in units of
   // (kg_x/kg_H2O/ppm) where x is the aerosol-phase species. (A is in
@@ -311,7 +311,7 @@ void rxn_HL_phase_transfer_calc_deriv_contrib(
     // Calculate the rate constant for diffusion limited mass transfer to the
     // aerosol phase (1/s)
     long double cond_rate =
-        gas_aerosol_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
+        gas_aerosol_transition_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
 
     // Calculate the evaporation rate constant (1/s)
     long double evap_rate = cond_rate / (EQUIL_CONST_);
@@ -404,7 +404,7 @@ void rxn_HL_phase_transfer_calc_jac_contrib(ModelData *model_data, Jacobian jac,
     // Calculate the rate constant for diffusion limited mass transfer to the
     // aerosol phase (1/s)
     long double cond_rate =
-        gas_aerosol_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
+        gas_aerosol_transition_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
 
     // Calculate the evaporation rate constant (1/s)
     long double evap_rate = cond_rate / (EQUIL_CONST_);
@@ -451,9 +451,9 @@ void rxn_HL_phase_transfer_calc_jac_contrib(ModelData *model_data, Jacobian jac,
         -rate * cond_rate *
         (2.0 * radius / (3.0 * DIFF_COEFF_) + 4.0 / (3.0 * MFP_M_));
 #endif
-    long double d_cond_d_radius = d_gas_aerosol_rxn_rate_constant_d_radius(
-                                      DIFF_COEFF_, MFP_M_, radius, ALPHA_) *
-                                  state[GAS_SPEC_];
+    long double d_cond_d_radius =
+        d_gas_aerosol_transition_rxn_rate_constant_d_radius(
+            DIFF_COEFF_, MFP_M_, radius, ALPHA_) * state[GAS_SPEC_];
     long double d_evap_d_radius = d_cond_d_radius / state[GAS_SPEC_] /
                                   (EQUIL_CONST_)*state[AERO_SPEC_(i_phase)] /
                                   state[AERO_WATER_(i_phase)];

diff --git a/src/rxns/rxn_SIMPOL_phase_transfer.c b/src/rxns/rxn_SIMPOL_phase_transfer.c
@@ -65,7 +65,7 @@
   (int_data[NUM_INT_PROP_ + 2 + 11 * (NUM_AERO_PHASE_) + x] - 1)
 #define NUM_AERO_PHASE_JAC_ELEM_(x) (int_data[PHASE_INT_LOC_(x)])
 #define PHASE_JAC_ID_(x, s, e) \
-  int_data[PHASE_INT_LOC_(x) + 1 + s * NUM_AERO_PHASE_JAC_ELEM_(x) + e]
+  int_data[PHASE_INT_LOC_(x) + 1 + (s) * NUM_AERO_PHASE_JAC_ELEM_(x) + e]
 #define EFF_RAD_JAC_ELEM_(x, e) float_data[PHASE_FLOAT_LOC_(x) + e]
 #define NUM_CONC_JAC_ELEM_(x, e) \
   float_data[PHASE_FLOAT_LOC_(x) + NUM_AERO_PHASE_JAC_ELEM_(x) + e]
@@ -241,7 +241,7 @@ void rxn_SIMPOL_phase_transfer_update_env_state(ModelData *model_data,
 #endif
 
   /// save the mean free path [m] for calculating condensation rates
-  MFP_M_ = mean_free_path__m(DIFF_COEFF_, TEMPERATURE_K_, ALPHA_);
+  MFP_M_ = mean_free_path__m(DIFF_COEFF_, TEMPERATURE_K_, MW_);
 
   // SIMPOL.1 vapor pressure [Pa]
   double vp = B1_ / TEMPERATURE_K_ + B2_ + B3_ * TEMPERATURE_K_ +
@@ -340,7 +340,7 @@ void rxn_SIMPOL_phase_transfer_calc_deriv_contrib(
     // Calculate the rate constant for diffusion limited mass transfer to the
     // aerosol phase (m3/#/s)
     long double cond_rate =
-        gas_aerosol_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
+        gas_aerosol_transition_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
 
     // Calculate the evaporation rate constant (ppm_x*m^3/kg_x/s)
     long double evap_rate =
@@ -478,7 +478,7 @@ void rxn_SIMPOL_phase_transfer_calc_jac_contrib(ModelData *model_data,
     // Calculate the rate constant for diffusion limited mass transfer to the
     // aerosol phase (m3/#/s)
     long double cond_rate =
-        gas_aerosol_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
+        gas_aerosol_transition_rxn_rate_constant(DIFF_COEFF_, MFP_M_, radius, ALPHA_);
 
     // Calculate the evaporation rate constant (ppm_x*m^3/kg_x/s)
     long double evap_rate =
@@ -579,7 +579,7 @@ void rxn_SIMPOL_phase_transfer_calc_jac_contrib(ModelData *model_data,
         -(2.0 * radius / (3.0 * DIFF_COEFF_) + 4.0 / (3.0 * MFP_M_)) *
         cond_rate * cond_rate / state[GAS_SPEC_];
 #endif
-    realtype d_cond_d_radius = d_gas_aerosol_rxn_rate_constant_d_radius(
+    realtype d_cond_d_radius = d_gas_aerosol_transition_rxn_rate_constant_d_radius(
                                    DIFF_COEFF_, MFP_M_, radius, ALPHA_) *
                                state[GAS_SPEC_];
     realtype d_evap_d_radius = d_cond_d_radius / state[GAS_SPEC_] *