diff --git a/input/kinetics/families/intra_H_migration/groups.py b/input/kinetics/families/intra_H_migration/groups.py index 16d627e476..caf918503d 100644 --- a/input/kinetics/families/intra_H_migration/groups.py +++ b/input/kinetics/families/intra_H_migration/groups.py @@ -2945,61 +2945,46 @@ kinetics = None, ) -entry( - index = 190, - label = "Cd_rad_out_C", - group = -""" -1 *1 Cd u1 {2,D} -2 [Cd,Cdd] u0 {1,D} -""", - kinetics = None, -) - entry( index = 191, - label = "Cd_rad_out_C_single", + label = "Cd_rad_out_single", group = """ -1 *1 Cd u1 {2,S} {3,D} +1 *1 Cd u1 {2,S} 2 R u0 {1,S} -3 [Cd,Cdd] u0 {1,D} """, kinetics = None, ) entry( index = 192, - label = "Cd_rad_out_C_singleH", + label = "Cd_rad_out_singleH", group = """ -1 *1 Cd u1 {2,S} {3,D} +1 *1 Cd u1 {2,S} 2 H u0 {1,S} -3 [Cd,Cdd] u0 {1,D} """, kinetics = None, ) entry( index = 193, - label = "Cd_rad_out_C_singleNd", + label = "Cd_rad_out_singleNd", group = """ -1 *1 Cd u1 {2,S} {3,D} +1 *1 Cd u1 {2,S} 2 [Cs,O,S] u0 {1,S} -3 [Cd,Cdd] u0 {1,D} """, kinetics = None, ) entry( index = 194, - label = "Cd_rad_out_C_singleDe", + label = "Cd_rad_out_singleDe", group = """ -1 *1 Cd u1 {2,S} {3,D} +1 *1 Cd u1 {2,S} 2 [Cd,Ct,Cb,CO] u0 {1,S} -3 [Cd,Cdd] u0 {1,D} """, kinetics = None, ) @@ -3009,8 +2994,7 @@ label = "Ct_rad_out", group = """ -1 *1 Ct u1 {2,T} -2 Ct u0 {1,T} +1 *1 Ct u1 """, kinetics = None, ) @@ -3020,8 +3004,7 @@ label = "Cb_rad_out", group = """ -1 *1 Cb u1 {2,B} -2 [Cb,Cbf] u0 {1,B} +1 *1 Cb u1 """, kinetics = None, ) @@ -4083,11 +4066,10 @@ L2: O_rad_out L2: S_rad_out L2: Cd_rad_out - L3: Cd_rad_out_C - L4: Cd_rad_out_C_single - L5: Cd_rad_out_C_singleH - L5: Cd_rad_out_C_singleNd - L5: Cd_rad_out_C_singleDe + L3: Cd_rad_out_single + L4: Cd_rad_out_singleH + L4: Cd_rad_out_singleNd + L4: Cd_rad_out_singleDe L2: Ct_rad_out L2: Cb_rad_out L2: CO_rad_out diff --git a/input/kinetics/families/intra_H_migration/rules.py b/input/kinetics/families/intra_H_migration/rules.py index f4886a69ae..2888d30d6b 100644 --- a/input/kinetics/families/intra_H_migration/rules.py +++ b/input/kinetics/families/intra_H_migration/rules.py @@ -628,7 +628,7 @@ entry( index = 645, - label = "R2H_S;Cd_rad_out_C;Cs_H_out_2H", + label = "R2H_S;Cd_rad_out;Cs_H_out_2H", kinetics = ArrheniusEP( A = (2.44e+09, 's^-1'), n = 1.12, @@ -666,7 +666,7 @@ entry( index = 647, - label = "R2H_S;Cd_rad_out_C;Cs_H_out_H/OneDe", + label = "R2H_S;Cd_rad_out;Cs_H_out_H/OneDe", kinetics = ArrheniusEP( A = (7.24e+09, 's^-1'), n = 0.82, @@ -704,7 +704,7 @@ entry( index = 649, - label = "R2H_S;Cd_rad_out_C;Cs_H_out_OneDe", + label = "R2H_S;Cd_rad_out;Cs_H_out_OneDe", kinetics = ArrheniusEP( A = (1.67e+10, 's^-1'), n = 0.79, @@ -970,7 +970,7 @@ entry( index = 663, - label = "R2H_D;Cd_rad_out_C_singleH;Cd_H_out_singleH", + label = "R2H_D;Cd_rad_out_singleH;Cd_H_out_singleH", kinetics = ArrheniusEP( A = (7.28e+10, 's^-1'), n = 0.86, @@ -989,7 +989,7 @@ entry( index = 664, - label = "R2H_D;Cd_rad_out_C_singleH;Cd_H_out_singleNd", + label = "R2H_D;Cd_rad_out_singleH;Cd_H_out_singleNd", kinetics = ArrheniusEP( A = (3.24e+11, 's^-1'), n = 0.73, @@ -1008,7 +1008,7 @@ entry( index = 665, - label = "R2H_D;Cd_rad_out_C_singleNd;Cd_H_out_singleH", + label = "R2H_D;Cd_rad_out_singleNd;Cd_H_out_singleH", kinetics = ArrheniusEP( A = (1.62e+11, 's^-1'), n = 0.8, @@ -1027,7 +1027,7 @@ entry( index = 666, - label = "R2H_D;Cd_rad_out_C_singleNd;Cd_H_out_singleNd", + label = "R2H_D;Cd_rad_out_singleNd;Cd_H_out_singleNd", kinetics = ArrheniusEP( A = (3.94e+11, 's^-1'), n = 0.69, @@ -1711,7 +1711,7 @@ entry( index = 703, - label = "R3H_DS;Cd_rad_out_C_singleH;Cs_H_out_2H", + label = "R3H_DS;Cd_rad_out_singleH;Cs_H_out_2H", kinetics = ArrheniusEP( A = (5.1e+09, 's^-1'), n = 0.97, @@ -1749,7 +1749,7 @@ entry( index = 705, - label = "R3H_DS;Cd_rad_out_C_singleH;Cs_H_out_H/NonDeC", + label = "R3H_DS;Cd_rad_out_singleH;Cs_H_out_H/NonDeC", kinetics = ArrheniusEP( A = (9.23e+09, 's^-1'), n = 0.74, @@ -1787,7 +1787,7 @@ entry( index = 707, - label = "R3H_DS;Cd_rad_out_C_singleH;Cs_H_out_Cs2", + label = "R3H_DS;Cd_rad_out_singleH;Cs_H_out_Cs2", kinetics = ArrheniusEP( A = (6.04e+10, 's^-1'), n = 0.59, @@ -1825,7 +1825,7 @@ entry( index = 709, - label = "R3H_DS;Cd_rad_out_C_singleNd;Cs_H_out_2H", + label = "R3H_DS;Cd_rad_out_singleNd;Cs_H_out_2H", kinetics = ArrheniusEP( A = (2.58e+09, 's^-1'), n = 1.08, @@ -1863,7 +1863,7 @@ entry( index = 711, - label = "R3H_DS;Cd_rad_out_C_singleNd;Cs_H_out_H/NonDeC", + label = "R3H_DS;Cd_rad_out_singleNd;Cs_H_out_H/NonDeC", kinetics = ArrheniusEP( A = (5.91e+09, 's^-1'), n = 0.86, @@ -1901,7 +1901,7 @@ entry( index = 713, - label = "R3H_DS;Cd_rad_out_C_singleNd;Cs_H_out_Cs2", + label = "R3H_DS;Cd_rad_out_singleNd;Cs_H_out_Cs2", kinetics = ArrheniusEP( A = (8.05e+09, 's^-1'), n = 0.86, @@ -1939,7 +1939,7 @@ entry( index = 715, - label = "R3H_SS;Cd_rad_out_C;Cs_H_out_2H", + label = "R3H_SS;Cd_rad_out;Cs_H_out_2H", kinetics = ArrheniusEP( A = (7.68e+08, 's^-1'), n = 1.24, @@ -1977,7 +1977,7 @@ entry( index = 717, - label = "R3H_SS;Cd_rad_out_C;Cs_H_out_H/NonDeC", + label = "R3H_SS;Cd_rad_out;Cs_H_out_H/NonDeC", kinetics = ArrheniusEP( A = (1.66e+09, 's^-1'), n = 0.99, @@ -2015,7 +2015,7 @@ entry( index = 719, - label = "R3H_SS;Cd_rad_out_C;Cs_H_out_Cs2", + label = "R3H_SS;Cd_rad_out;Cs_H_out_Cs2", kinetics = ArrheniusEP( A = (1.1e+10, 's^-1'), n = 0.78, @@ -4317,7 +4317,7 @@ entry( index = 871, - label = "R4H_SDS;Cd_rad_out_C;Cs_H_out_2H", + label = "R4H_SDS;Cd_rad_out;Cs_H_out_2H", kinetics = ArrheniusEP( A = (1.11e+08, 's^-1'), n = 1.1915, @@ -4355,7 +4355,7 @@ entry( index = 873, - label = "R5H_DSMS;Cd_rad_out_C_singleH;Cs_H_out_2H", + label = "R5H_DSMS;Cd_rad_out_singleH;Cs_H_out_2H", kinetics = ArrheniusEP( A = (136000, 's^-1'), n = 1.9199, @@ -4393,7 +4393,7 @@ entry( index = 875, - label = "R3H_DS;Cd_rad_out_C_singleDe;Cs_H_out_2H", + label = "R3H_DS;Cd_rad_out_singleDe;Cs_H_out_2H", kinetics = ArrheniusEP( A = (1.28371e+09, 's^-1'), n = 1.0541, @@ -5765,7 +5765,7 @@ entry( index = 1058, - label = "R2H_D;Cd_rad_out_C_singleH;Cd_H_out_singleDe", + label = "R2H_D;Cd_rad_out_singleH;Cd_H_out_singleDe", kinetics = ArrheniusEP( A = (1.0E-10, 's^-1'), n = 0,