H2O NH3 CO2 HNCO urea(g) cya(g) HCN(g) N2 mela(g) O2 NO C2N2 DCSLMAX=25 urea(l) 1320 HNCO(l) 1140 NH3(l) 700 biu(l) 1470 triu(l) 1547 H2NCN(l) 1069 Dcd(l) 1049 H2O(l) 998 urea(aq) 1100 NH3(aq) 700 HNCO(aq) 1140 ammd(s) 1573 g-C3N4 1900 ammn(s) 2220 melam(s) 1900 mela(s) 1260 melem(s) 1717 melon(s) 1900 H2NCN(s) 1282 Dcd(s) 1404 urea(s) 1320 biu(s) 1470 triu(s) 1547 cya(s) 2500 ammd(s) > 2 HNCO + H2NCN(s) A/cm_units = 1.5e11 Ea/kJ_mol = 175.67 3 ammd(s) > 2 ammn(s) + H2NCN(s) + 2 CO2 ammd(s) 1 A/cm_units = 8.5e10 Ea/kJ_mol = 185.67 3 ammd(s) > melem(s) + H2NCN(s) + 3 CO2 A/cm_units = 9.0e14 Ea/kJ_mol = 185.67 ammn(s) > HNCO + 2 H2NCN(s) A/cm_units = 3.0e10 Ea/kJ_mol = 187.67 3 ammn(s) > melem(s) + 3 HNCO + 3 NH3 A/cm_units = 8.0e14 Ea/kJ_mol = 200.67 2 H2NCN(l) > Dcd(s) A/cm_units = 9.0e12 Ea/kJ_mol = 115.67 3 Dcd(l) > 2 mela(s) Dcd(s) 1 A/cm_units = 6.0e15 Ea/kJ_mol = 165.67 2 mela(s) > melam(s) + NH3 A/cm_units = 5.0e9 Ea/kJ_mol = 140.67 3 Dcd(l) > 6 HCN(g) + 2 NH3 + 2 N2 Dcd(s) 1 A/cm_units = 1.7e14 Ea/kJ_mol = 165.67 melam(s) > melem(s) + NH3 A/cm_units = 3.0e14 Ea/kJ_mol = 215.67 melam(s) > NH3 + 6 HCN(g) + 2 N2 A/cm_units = 0.6e14 #1.2 Ea/kJ_mol = 215.67 melem(s) > 2 g-C3N4 + 2 NH3 A/cm_units = 1.2e5 Ea/kJ_mol = 130.71 melem(s) > melon(s) + NH3 A/cm_units = 2.5e5 Ea/kJ_mol = 130.71 #Homogeneous Reactions proposed by Tischer et al., doi:10.1039/c9cp01529a. urea(l) + HNCO(l) = biu(s) A/SIunits = 1e-4 Ea/kJ_mol = 0 urea(l) + HNCO(l) = biu(l) A/SIunits = 1e-4 Ea/kJ_mol = 0 biu(l) + HNCO(l) = triu(s) A/SIunits = 1e-4 Ea/kJ_mol = 0 triu(s) > cya(s) + NH3 A/SIunits = 1.2e2 Ea/kJ_mol = 42 triu(s) > ammd(s) + H2O A/SIunits = 0.3e2 Ea/kJ_mol = 42 mela(s) > mela(g) A/SIunits = 9e5 Ea/kJ_mol = 141.30 2 g-C3N4 > 3 C2N2 + N2 g-C3N4 1 A/SIunits = 2.8E1 beta = 0 Ea/kJ_mol = 149.72 5 melon(s) > 9 C2N2 + 12 HCN(g) + NH3 + 7 N2 melon(s) 1 A/SIunits = 3.0E1 beta = 0 Ea/kJ_mol = 149.72 melon(s) > 2 g-C3N4 + NH3 melon(s) 1 A/SIunits = 0.75E1 beta = 0 Ea/kJ_mol = 149.72 H2NCN(s) = H2NCN(l) A/SIunits = 0.088 Dcd(s) = Dcd(l) A/SIunits = 0.088 #Interphase Reactions proposed by Tischer et al., doi:10.1039/c9cp01529a. #Reaktion 1 in Brack, geändert cya(s) > cya(g) A/SIunits = 3e4 Ea/kJ_mol = 141.30 urea(l) + urea(l) > biu(l) + NH3 A/SIunits = 3.5e0 Ea/kJ_mol = 99 biu(l) + urea(l) > triu(s) + NH3 A/SIunits = 2e2 Ea/kJ_mol = 116.50 H2O = H2O(l) A/SIunits = 0.086 beta=0.5 urea(g) = urea(l) A/SIunits = 0.086 beta=0.5 NH3 = NH3(l) A/SIunits = 0.088 beta=0.5 NH3 = NH3(aq) A/SIunits = 0.088 beta=0.5 NH3(aq) = NH3(l) A/SIunits = 0.088 beta=0.5 urea(aq) = urea(s) A/SIunits = 0.047 beta=0.5 urea(aq) = urea(l) A/SIunits = 0.047 beta=0.5 HNCO = HNCO(l) A/SIunits = 0.055 beta=0.5 HNCO = HNCO(aq) A/SIunits = 0.055 beta=0.5 HNCO(aq) = HNCO(l) A/SIunits = 0.055 beta=0.5 urea(l) = urea(s) A/SIunits = 1e-6 biu(l) = biu(s) A/SIunits = 1e-6