troubleshoot adm1p

QSD-Group · Dec 4, 2024 · 2155dd8 · 2155dd8
1 parent c43e979
commit 2155dd8
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Showing 2 changed files with 10 additions and 8 deletions.
diff --git a/qsdsan/processes/_adm1_p_extension.py b/qsdsan/processes/_adm1_p_extension.py
@@ -1038,7 +1038,7 @@ def __new__(cls, components=None, path=None,
                                                KS_IP*P_mw, np.array(k_mmp), Ksp_mass, 
                                                np.array(K_dis), K_AlOH, K_FeOH]))
 
-        def dydt_Sh2_AD(S_h2, state_arr, h, params, f_stoichio, V_liq, S_h2_in):
+        def adm1p_dydt_Sh2_AD(S_h2, state_arr, h, params, f_stoichio, V_liq, S_h2_in):
             state_arr[7] = S_h2
             Q = state_arr[45]
             rxn = _rhos_adm1p(state_arr, params, h=h)
@@ -1048,14 +1048,15 @@ def dydt_Sh2_AD(S_h2, state_arr, h, params, f_stoichio, V_liq, S_h2_in):
 
         grad_rhosp = np.zeros(5)
         X_biop = np.zeros(5)
-        def grad_dydt_Sh2_AD(S_h2, state_arr, h, params, f_stoichio, V_liq, S_h2_in):
+        def adm1p_grad_dydt_Sh2_AD(S_h2, state_arr, h, params, f_stoichio, V_liq, S_h2_in):
             state_arr[7] = S_h2
             ks = params['rate_constants'][[5,6,7,8,10]]
             Ks = params['half_sat_coeffs'][2:6]
             K_h2 = params['half_sat_coeffs'][7]
             pH_ULs = params['pH_ULs']
             pH_LLs = params['pH_LLs']
             KS_IN = params['KS_IN']
+            KS_IP = params['KS_IP']
             KIs_h2 = params['KIs_h2']
             kLa = params['kLa']
 
@@ -1076,12 +1077,12 @@ def grad_dydt_Sh2_AD(S_h2, state_arr, h, params, f_stoichio, V_liq, S_h2_in):
             stoichio = f_stoichio(state_arr)
 
             Q = state_arr[45]
-            return -Q/V_liq + np.dot(grad_rhos, stoichio[[5,6,7,8,10]]) + kLa*stoichio[-3]
+            return -Q/V_liq + np.dot(grad_rhosp, stoichio[[5,6,7,8,10]]) + kLa*stoichio[-3]
 
         dct['flex_rhos'] = _rhos_adm1p
         dct['solve_pH'] = adm1p_solve_pH
-        dct['dydt_Sh2_AD'] = dydt_Sh2_AD
-        dct['grad_dydt_Sh2_AD'] = grad_dydt_Sh2_AD
+        dct['dydt_Sh2_AD'] = adm1p_dydt_Sh2_AD
+        dct['grad_dydt_Sh2_AD'] = adm1p_grad_dydt_Sh2_AD
         return self
 
     def set_half_sat_K(self, K, process):

diff --git a/qsdsan/sanunits/_anaerobic_reactor.py b/qsdsan/sanunits/_anaerobic_reactor.py
@@ -583,8 +583,9 @@ def h2_stoichio(state_arr):
                 dydt_Sh2_AD = self.model.dydt_Sh2_AD
                 grad_dydt_Sh2_AD = self.model.grad_dydt_Sh2_AD
                 def solve_h2(QC, S_in, T, h=h):
-                    Ka = params['Ka_base'] * T_correction_factor(params['T_base'], T, params['Ka_dH'])
-                    if h == None: h = solve_pH(QC, Ka, unit_conversion)
+                    if h == None: 
+                        Ka = params['Ka_base'] * T_correction_factor(params['T_base'], T, params['Ka_dH'])
+                        h = solve_pH(QC, Ka, unit_conversion)
                     # S_h2_0 = QC[h2_idx]
                     S_h2_0 = 2.8309E-07
                     S_h2_in = S_in[h2_idx]
@@ -596,7 +597,7 @@ def solve_h2(QC, S_in, T, h=h):
                 def update_h2_dstate(dstate):
                     dstate[h2_idx] = 0.
             else:
-                solve_h2 = lambda QC, S_ins, T: QC[h2_idx]
+                solve_h2 = lambda QC, S_in, T: QC[h2_idx]
                 def update_h2_dstate(dstate):
                     pass
             def dy_dt(t, QC_ins, QC, dQC_ins):