| blob | 8f2c349463aa04e0157e70d4f89b0d5e51742f85 |
1 #EQUATIONS {}
2 {001:J01} NO2+hv=O3P+NO : j(Pj_no2) ;
3 {002:J02} O3+hv=O1D{+O2} : j(Pj_o31d) ;
4 {003:J03} O3+hv=O3P{+O2} : j(Pj_o33p) ;
5 {004:J04} HONO+hv=HO+NO : j(Pj_hno2) ;
6 {005:J05} HNO3+hv=HO+NO2 : j(Pj_hno3) ;
7 {006:J06} HNO4+hv=0.65 HO2+0.65 NO2+0.35 HO+0.35 NO3 : j(Pj_hno4) ;
8 {007:J07} NO3+hv=NO{+O2} : j(Pj_no3o2) ;
9 {008:J08} NO3+hv=NO2+O3P : j(Pj_no3o) ;
10 {009:J09} H2O2+hv=HO+HO : j(Pj_h2o2) ;
11 {010:J10} HCHO+hv=CO{+H2} : j(Pj_ch2om) ;
12 {011:J11} HCHO+hv=HO2+HO2+CO : j(Pj_ch2or) ;
13 {012:J12} ALD+hv=MO2+HO2+CO : j(Pj_ch3cho) ;
14 {013:J13} OP1+hv=HCHO+HO2+HO : j(Pj_ch3o2h) ;
15 {014:J14} OP2+hv=ALD+HO2+HO : j(Pj_ch3coch3) ;
16 {015:J15} PAA+hv=MO2+HO : j(Pj_ch3coo2h) ;
17 {016:J16} KET+hv=ACO3+ETHP : j(Pj_ch3coc2h5) ;
18 {017:J17} GLY+hv=0.13 HCHO+1.87 CO{+0.87 H2} : j(Pj_hcocho) ;
19 {018:J18} GLY+hv=0.45 HCHO+1.55 CO+0.80 HO2{+0.15 H2} : j(Pj_hcochob) ;
20 {019:J19} MGLY+hv=ACO3+HO2+CO : j(Pj_ch3cocho) ;
21 {020:J20} DCB+hv=HO2+TCO3 : j(Pj_hcochest) ;
22 {021:J21} ONIT+hv=0.20 ALD+0.80 KET+HO2+NO2 : j(Pj_ch3ono2) ;
23 {022:J22} MACR+hv=CO+HCHO+HO2+ACO3 : j(Pj_macr) ;
24 {023:J23} HKET+hv=HCHO+HO2+ACO3 : j(Pj_ch3coc2h5) ;
25 {024:J24} CL2+hv=2.0 CL :j(Pj_cl2);
26 {025:J25} HOCL+hv=HO+CL :j(Pj_hocl);
27 {026:J26} CLNO2+hv=CL+NO2 :j(Pj_clno2);
28 {027:J27} FMCL+hv=CL+CO+HO2 :j(Pj_fmcl);
29 {028:001} O3P+M{O2}=O3 : (C_M *6.00D-34*(TEMP/300.0)**(-2.4)) ;
30 {029:002} O3P+O3=M {2O2} : ARR2( 8.00D-12 , 2060.0_dp, TEMP) ;
31 {030:003} O1D + M = O3P : .78084*ARR2(2.15D-11 , -110.0_dp, TEMP) + .20946*ARR2( 3.30D-11 , -55.0_dp , TEMP ) ;
32 {031:004} O1D+H2O=HO+HO : ARR2( 1.63D-10 , -60.0_dp, TEMP ) ;
33 {032:005} O3+HO=HO2{+O2} : ARR2( 1.70D-12 , 940.0_dp, TEMP ) ;
34 {033:006} O3+HO2=HO{+2.0 O2} : ARR2( 1.0D-14 , 490.0_dp, TEMP ) ;
35 {034:007} HO+HO2=H2O{+O2} : ARR2( 4.80D-11 , -250.0_dp, TEMP ) ;
36 {035:008} H2O2+HO=HO2+H2O : 1.8D-12 ;
37 {036:009} HO2+HO2=H2O2{+O2} : (3.5D-13*EXP(430./TEMP) + 1.7D-33* C_M *EXP(1000./TEMP)) ;
38 {037:010} HO2+HO2+H2O=H2O2+H2O{+O2} : (4.9D-34* EXP(2630./TEMP)+ 2.38D-54* C_M *EXP(3200./TEMP)) ;
39 {038:011} O3P+NO=NO2 : TROE( 9.00D-32 , 1.5_dp , 3.00D-11 , 0.0_dp , TEMP, C_M) ;
40 {039:012} O3P+NO2=NO{+O2} : ARR2( 5.1D-12 , -210.0_dp, TEMP) ;
41 {040:013} O3P+NO2=NO3 : TROE( 2.5D-31 , 1.8_dp , 2.20D-11 , 0.7_dp , TEMP, C_M) ;
42 {041:014} NO+HO=HONO : TROE( 7.00D-31 , 2.6_dp , 3.6D-11 , 0.1_dp , TEMP, C_M) ;
43 {042:015} HO+NO2=HNO3 : TROE( 1.8D-30 , 3.0_dp , 2.8D-11 , 0.0_dp , TEMP, C_M) ;
44 {043:016} HO+NO3=NO2+HO2 : 2.20D-11 ;
45 {044:017} HO2+NO=NO2+HO : ARR2( 3.50D-12 , -250.0_dp, TEMP ) ;
46 {045:018} HO2+NO2=HNO4 : TROE( 2.0D-31 , 3.4_dp , 2.9D-12 , 1.1_dp , TEMP, C_M) ;
47 {046:019} HNO4=HO2+NO2 : TROEE( 4.76D26,10900.0_dp, 2.0D-31 , 3.4_dp , 2.9D-12 , 1.1_dp, TEMP, C_M ) ;
48 {047:020} HO2+NO3=0.3 HNO3+0.7 NO2+0.7 HO{+O2} : 3.50D-12 ;
49 {048:021} HO+HONO=NO2+H2O : ARR2( 1.80D-11 , 390.0_dp, TEMP ) ;
50 {049:022} HO+HNO3=NO3+H2O : k50(TEMP,C_M) ;
51 {050:023} HO+HNO4=NO2+H2O{+O2} : ARR2( 1.30D-12 , -380.0_dp, TEMP ) ;
52 {051:024} O3+NO=NO2{+O2} : ARR2( 3.0D-12 , 1500.0_dp, TEMP ) ;
53 {052:025} O3+NO2=NO3{+O2} : ARR2( 1.20D-13 , 2450.0_dp, TEMP ) ;
54 {053:026} NO+NO+M{O2}=NO2+NO2 : (.20946D0*ARR2( 3.30D-39 , -530.0_dp, TEMP )) ;
55 {054:027} NO3+NO=NO2+NO2 : ARR2( 1.50D-11 , -170.0_dp , TEMP) ;
56 {055:028} NO3+NO2=NO+NO2{+O2} : ARR2( 4.50D-14, 1260.0_dp, TEMP ) ;
57 {056:029} NO3+NO2=N2O5 : TROE( 2.0D-30 , 4.4_dp , 1.4D-12 , 0.7_dp , TEMP, C_M) ;
58 {057:030} N2O5=NO3+NO2 : TROEE(3.70D26,11000.0_dp, 2.0D-30 , 4.4_dp , 1.4D-12 , 0.7_dp, TEMP, C_M ) ;
59 {058:031} NO3+NO3=NO2+NO2{+O2} : ARR2( 8.50D-13 , 2450.0_dp, TEMP ) ;
60 {059:032} HO+M{=H2}=H2O+HO2 : (5.31D-7*ARR2( 2.8D-12 , 1800.0_dp, TEMP )) ;{fixed H2 (531ppb) Novelli '99}
61 {060:033} HO+SO2=SULF+HO2 : TROE( 3.3D-31 , 4.3_dp , 1.6D-12 , 0.0_dp , TEMP, C_M) ;
62 {061:034} CO+HO=HO2+CO2 : k63(TEMP,C_M) ;
63 {062:035} NALD+HO=HCHO+CO+NO2 : ARR2( 5.60D-12 , -270.0_dp, TEMP ) ;
64 {063:036} HACE+HO=MGLY+HO2 : 3.00D-12 ;
65 {064:037} CH4+HO=MO2+H2O : ARR2( 2.45D-12 , 1775.0_dp, TEMP ) ;
66 {065:038} ETH+HO=ETHP+H2O : ARR2( 8.7D-12 , 1070.0_dp, TEMP );
67 {066:039} HC3+HO=0.583 HC3P+0.381 HO2+0.335 ALD+0.036 ORA1+0.036 CO+0.036 GLY+0.036 HO+0.010 HCHO+H2O : ARR2( 5.26D-12 , 260.0_dp, TEMP ) ;
68 {067:040} HC5+HO=0.75 HC5P+0.25 KET+0.25 HO2+H2O : ARR2( 8.02D-12 , 155.0_dp, TEMP ) ;
69 {068:041} HC8+HO=0.9511 HC8P+0.025 ALD+0.024 HKET+0.049 HO2+H2O : ARR2( 1.64D-11 , 125.0_dp, TEMP ) ;
70 {069:042} ETE+HO=ETEP : TROE( 1.0D-28 , 4.5_dp , 8.8D-12 , 0.85_dp , TEMP, C_M) ;
71 {070:043} OLT+HO=OLTP : ARR2( 5.72D-12 , -500.0_dp, TEMP ) ;
72 {071:044} OLI+HO=OLIP : ARR2( 1.33D-11 , -500.0_dp, TEMP ) ;
73 {072:045} DIEN+HO=ISOP : ARR2( 1.48D-11 , -448.0_dp, TEMP ) ;
74 {073:046} ISO+HO=ISOP : ARR2( 2.54D-11 , -410.0_dp, TEMP ) ;
75 {074:047} API+HO=APIP : ARR2( 1.21D-11 , -444.0_dp, TEMP ) ;
76 {075:048} LIM+HO=LIMP : 1.71D-10 ;
77 {076:049} TOL+HO=0.90 ADDT+0.10 XO2+0.10 HO2 : ARR2( 1.81D-12 , -338.0_dp, TEMP ) ;
78 {077:050} XYL+HO=0.90 ADDX+0.10 XO2+0.10 HO2 : ARR2( 7.30D-12 , -355.0_dp, TEMP ) ;
79 {078:051} CSL+HO=0.85 ADDC+0.10 PHO+0.05 HO2+0.05 XO2 : 6.8D-11 ;
80 {079:052} HCHO+HO=HO2+CO+H2O : ARR2( 5.5D-12 , -125.0_dp, TEMP ) ;
81 {080:053} ALD+HO=ACO3+H2O : ARR2( 5.6D-12 , -270.0_dp, TEMP ) ;
82 {081:054} KET+HO=KETP+H2O : (THERMAL_T2(5.68D-18, -92.0_dp,TEMP )) ;
83 {082:055} HKET+HO=HO2+MGLY+H2O : 3.00D-12 ;
84 {083:056} GLY+HO=HO2+2.0 CO+H2O : 1.15D-11 ;
85 {084:057} MGLY+HO=ACO3+CO+H2O : 1.72D-11 ;
86 {085:058} MACR+HO=MACP : .5*(4.13D-12*EXP(425./TEMP) + 1.86D-11*EXP(175./TEMP)) ;
87 {086:059} DCB+HO=0.50 TCO3+0.50 HO2+0.50 XO2+0.35 UDD+0.15 GLY+0.15 MGLY : ARR2( 2.80D-11 , -175.0_dp, TEMP ) ;
88 {087:060} UDD+HO=0.88 ALD+0.12 KET+HO2 : 2.70D-10 ;
89 {088:061} OP1+HO=0.65 MO2+0.35 HCHO+0.35 HO : ARR2( 3.8D-12 , -200.0_dp, TEMP ) ;
90 {089:062} OP2+HO=0.44 HC3P+0.08 ALD+0.41 KET+0.49 HO+0.07 XO2 : ARR2( 3.40D-12 , -190.0_dp, TEMP ) ;
91 {090:063} PAA+HO=0.35 HCHO+0.65 ACO3+0.35 HO2+0.35 XO2 : ARR2( 3.8D-12 , -200.0_dp, TEMP ) ;
92 {091:064} PAN+HO=HCHO+XO2+H2O+NO3 : 4.00D-14 ;
93 {092:065} TPAN+HO=0.60 HKET+0.40 HCHO+0.40 HO2+XO2+0.40 PAN+0.60 NO3 : ARR2( 3.25D-13 , -500.0_dp, TEMP ) ;
94 {093:066} ONIT+HO=HC3P+NO2+H2O : ARR2( 5.31D-12 , 260.0_dp , TEMP) ;
95 {094:067} HCHO+NO3=HO2+HNO3+CO : ARR2( 3.40D-13 , 1900.0_dp, TEMP ) ;
96 {095:068} ALD+NO3=ACO3+HNO3 : ARR2( 1.40D-12 , 1900.0_dp, TEMP ) ;
97 {096:069} GLY+NO3=HNO3+HO2+2.0 CO : ARR2( 2.90D-12 , 1900.0_dp, TEMP ) ;
98 {097:070} MGLY+NO3=HNO3+ACO3+CO : ARR2( 1.40D-12 , 1900.0_dp, TEMP ) ;
99 {098:071} MAHP+HO=MACP : 3.00D-11 ;
100 {099:072} DCB+NO3=0.5 TCO3+0.5 HO2+0.5 XO2+0.25 GLY+0.25 ALD+0.03 KET+0.25 MGLY+0.5 HNO3+0.5 NO2 : ARR2( 2.87D-13 , 1000.0_dp, TEMP ) ;
101 {100:073} CSL+NO3=HNO3+PHO : 2.20D-11 ;
102 {101:074} ETE+NO3=0.80 OLNN+0.20 OLND : (THERMAL_T2( 4.88D-18 , 2282.0_dp,TEMP )) ;
103 {102:075} OLT+NO3=0.43 OLNN+0.57 OLND : ARR2( 1.79D-13 , 450.0_dp, TEMP ) ;
104 {103:076} OLI+NO3=0.11 OLNN+0.89 OLND : ARR2( 8.64D-13 , -450.0_dp, TEMP ) ;
105 {104:077} DIEN+NO3=0.90 OLNN+0.10 OLND+0.90 MACR : 1.00D-13 ;
106 {105:078} ISO+NO3=ISON : ARR2( 3.03D-12 , 446.0_dp, TEMP ) ;
107 {106:079} API+NO3=0.10 OLNN+0.90 OLND : ARR2( 1.19D-12 , -490.0_dp, TEMP ) ;
108 {107:080} LIM+NO3=0.13 OLNN+0.87 OLND : 1.22D-11 ;
109 {108:081} TPAN+NO3=0.60 ONIT+0.60 NO3+0.40 PAN+0.40 HCHO+0.40 NO2+XO2 : ARR2( 2.20D-14 , 500.0_dp, TEMP ) ;
110 {109:082} ETE+O3=HCHO+0.43 CO+0.37 ORA1+0.26 HO2+0.12 HO{+0.13 H2} : ARR2( 1.2D-14 , 2630.0_dp, TEMP ) ;
111 {110:083} OLT+O3=0.64 HCHO+0.44 ALD+0.37 CO+0.14 ORA1+0.10 ORA2+0.25 HO2+0.40 HO+0.03 KET+0.03 KETP+0.06 CH4 +0.006 H2O2+0.03 ETH+0.19 MO2+0.10 ETHP{+0.05 H2} : ARR2( 4.33D-15, 1800.0_dp, TEMP ) ;
112 {111:084} OLI+O3=0.02 HCHO+0.99 ALD+0.16 KET+0.30 CO+0.011 H2O2+0.14 ORA2+0.07 CH4+0.22 HO2+0.63 HO+0.23 MO2+0.12 KETP+0.06 ETH+0.18 ETHP : ARR2( 4.40D-15 , 845.0_dp, TEMP ) ;
113 {112:085} DIEN+O3=0.90 HCHO+0.39 MACR+0.36 CO+0.15 ORA1+0.09 O3P+0.30 HO2+0.35 OLT+0.28 HO+0.15 ACO3+0.03 MO2+0.02 KETP+0.13 XO2+0.001 H2O2{+0.05 H2} : ARR2( 1.34D-14 , 2283.0_dp, TEMP ) ;
114 {113:086} ISO+O3=0.65 MACR+0.58 HCHO+0.1 MACP+0.1 ACO3+0.08 MO2+0.28 ORA1+0.14 CO+0.09 H2O2+0.25 HO2+0.25 HO : ARR2( 7.86D-15 , 1913.0_dp, TEMP ) ;
115 {114:087} API+O3=0.65 ALD+0.53 KET+0.14 CO+0.20 ETHP+0.42 KETP+0.85 HO+0.10 HO2+0.02 H2O2 : ARR2( 1.01D-15 , 732.0_dp, TEMP ) ;
116 {115:088} LIM+O3=0.04 HCHO+0.46 OLT+0.14 CO+0.16 ETHP+0.42 KETP+0.85 HO+0.10 HO2+0.02 H2O2+0.79 MACR+0.01 ORA1+0.07 ORA2 : 2.00D-16 ;
117 {116:089} MACR+O3=0.9 MGLY+0.45 ORA1+0.32 HO2+0.22 CO+0.19 HO+0.1 ACO3 : .5*(1.36D-15*EXP(-2112./TEMP)+7.51D-16*EXP(-1521./TEMP)) ;
118 {117:090} DCB+O3=0.21 HO+0.29 HO2+0.66 CO+0.50 GLY+0.28 ACO3+0.16 ALD+0.62 MGLY+0.11 PAA+0.11 ORA1+0.21 ORA2 : 2.00D-18 ;
119 {118:091} TPAN+O3=0.70 HCHO+0.30 PAN+0.70 NO2+0.13 CO+0.11 ORA1+0.08 HO2+0.036 HO+0.70 ACO3{+0.04 H2} : ARR2( 2.46D-15 , 1700.0_dp, TEMP ) ;
120 {119:092} PHO+NO2=0.10 CSL+ONIT : 2.00D-11 ;
121 {120:093} PHO+HO2=CSL : 1.00D-11 ;
122 {121:094} ADDT+NO2=CSL+HONO : 3.60D-11 ;
123 {122:095} ADDT+M {O2}=0.98 TOLP+0.02 CSL+0.02 HO2 : (.20946D0*ARR2( 1.66D-17 , -1044.0_dp, TEMP )) ;
124 {123:096} ADDT+O3=CSL+HO : 5.00D-11 ;
125 {124:097} ADDX+NO2=CSL+HONO : 3.60D-11 ;
126 {125:098} ADDX+M{O2}=0.98 XYLP+0.02 CSL+0.02 HO2 : (.20946D0*ARR2( 1.66D-17 , -1044.0_dp, TEMP )) ;
127 {126:099} ADDX+O3=CSL+HO : 1.00D-11 ;
128 {127:100} ADDC+NO2=CSL+HONO : 3.60D-11 ;
129 {128:101} ADDC+M{O2}=0.98 CSLP+0.02 CSL+0.02 HO2 : (.20946D0*ARR2( 1.66D-17 , -1044.0_dp, TEMP )) ;
130 {129:102} ADDC+O3=CSL+HO : 5.00D-11 ;
131 {130:103} ACO3+NO2=PAN : TROE( 9.70D-29 , 5.6_dp , 9.30D-12 , 1.5_dp , TEMP, C_M) ;
132 {131:104} PAN=ACO3+NO2 : TROEE(1.11D28,14000.0_dp, 9.70D-29 , 5.6_dp , 9.30D-12 , 1.5_dp , TEMP, C_M) ;
133 {132:105} TCO3+NO2=TPAN : TROE( 9.70D-29 , 5.6_dp , 9.30D-12 , 1.5_dp , TEMP, C_M) ;
134 {133:106} TPAN=TCO3+NO2 : TROEE(1.11D28,14000.0_dp, 9.70D-29 , 5.6_dp , 9.30D-12 , 1.5_dp , TEMP, C_M ) ;
135 {134:107} MO2+NO=HCHO+HO2+NO2 : ARR2( 2.8D-12 , -300.0_dp, TEMP ) ;
136 {135:108} ETHP+NO=ALD+HO2+NO2 : ARR2( 2.6D-12 , -365.0_dp, TEMP );
137 {136:109} HC3P+NO=0.047 HCHO+0.233 ALD+0.623 KET+0.063 GLY+0.742 HO2+0.15 MO2+0.048 ETHP+0.048 XO2+0.059 ONIT+0.941 NO2 : 4.00D-12 ;
138 {137:110} HC5P+NO=0.021 HCHO+0.211 ALD+0.722 KET+0.599 HO2+0.031 MO2+0.245 ETHP+0.334 XO2+0.124 ONIT+0.876 NO2 : 4.00D-12 ;
139 {138:111} HC8P+NO=0.15 ALD+0.642 KET+0.133 ETHP+0.261 ONIT+0.739 NO2+0.606 HO2+0.416 XO2 : 4.00D-12 ;
140 {139:112} ETEP+NO=1.6 HCHO+HO2+NO2+0.2 ALD : 9.00D-12 ;
141 {140:113} OLTP+NO=0.94 ALD+HCHO+HO2+NO2+0.06 KET : 4.00D-12 ;
142 {141:114} OLIP+NO=HO2+1.71 ALD+0.29 KET+NO2 : 4.00D-12 ;
143 {142:115} ISOP+NO=MACR+NO2+HCHO+HO2+0.046 ISON : ARR2( 2.43D-12 , -360.0_dp, TEMP ) ;
144 {143:116} APIP+NO=0.80 HO2+0.80 ALD+0.80 KET+0.20 ONIT+0.80 NO2 : 4.00D-12 ;
145 {144:117} LIMP+NO=0.65 HO2+0.40 MACR+0.25 OLI+0.25 HCHO+0.35 ONIT+0.65 NO2 : 4.00D-12 ;
146 {145:118} TOLP+NO=0.95 NO2+0.95 HO2+0.65 MGLY+1.20 GLY+0.50 DCB+0.05 ONIT : 4.00D-12 ;
147 {146:119} XYLP+NO=0.95 NO2+0.95 HO2+0.60 MGLY+0.35 GLY+0.95 DCB+0.05 ONIT : 4.00D-12 ;
148 {147:120} CSLP+NO=GLY+MGLY+HO2+NO2 : 4.00D-12 ;
149 {148:121} ACO3+NO=MO2+NO2 : ARR2( 8.1D-12 , -270.0_dp, TEMP ) ;
150 {149:122} TCO3+NO=ACO3+HCHO+NO2 : ARR2( 8.1D-12 , -270.0_dp, TEMP ) ;
151 {150:123} KETP+NO=0.54 MGLY+0.46 ALD+0.23 ACO3+0.77 HO2+0.16 XO2+NO2 : 4.00D-12 ;
152 {151:124} OLNN+NO=HO2+ONIT+NO2 : 4.00D-12 ;
153 {152:125} OLND+NO=0.287 HCHO+1.24 ALD+0.464 KET+2.0 NO2 : 4.00D-12 ;
154 {153:126} MO2+HO2=OP1 : ARR2( 4.1D-13 , -750.0_dp, TEMP ) ;
155 {154:127} ETHP+HO2=OP2 : ARR2( 7.4D-13 , -700.0_dp, TEMP ) ;
156 {155:128} HC3P+HO2=OP2 : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
157 {156:129} HC5P+HO2=OP2 : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
158 {157:130} HC8P+HO2=OP2 : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
159 {158:131} ETEP+HO2=OP2 : ARR2( 1.90D-13 , -1300.0_dp, TEMP ) ;
160 {159:132} OLTP+HO2=OP2 : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
161 {160:133} OLIP+HO2=OP2 : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
162 {161:134} ISOP+HO2=ISHP : ARR2( 2.05D-13 , -1300.0_dp, TEMP ) ;
163 {162:135} APIP+HO2=OP2 : 1.50D-11 ;
164 {163:136} LIMP+HO2=OP2 : 1.50D-11 ;
165 {164:137} TOLP+HO2=OP2 : ARR2( 3.75D-13 , -980.0_dp, TEMP ) ;
166 {165:138} XYLP+HO2=OP2 : ARR2( 3.75D-13 , -980.0_dp, TEMP) ;
167 {166:139} CSLP+HO2=OP2 : ARR2( 3.75D-13 , -980.0_dp, TEMP ) ;
168 {167:140} ACO3+HO2=PAA : 4.3D-13*EXP(1040./TEMP)/(1.+0.027*EXP(660./TEMP)) ;
169 {168:141} ACO3+HO2=ORA2+O3 : 4.3D-13*EXP(1040./TEMP)/(1.+37.*EXP(-660./TEMP)) ;
170 {169:142} TCO3+HO2=OP2 : 4.3D-13*EXP(1040./TEMP)/(1.+0.027*EXP(660./TEMP)) ;
171 {170:143} TCO3+HO2=ORA2+O3 : 4.3D-13*EXP(1040./TEMP)/(1.+37.*EXP(-660./TEMP)) ;
172 {171:144} KETP+HO2=OP2 : ARR2( 1.15D-13 , -1300.0_dp, TEMP ) ;
173 {172:145} OLNN+HO2=ONIT : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
174 {173:146} OLND+HO2=ONIT : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
175 {174:147} MO2+MO2=1.33 HCHO+0.66 HO2 : ARR2( 9.5D-14 , -390.0_dp, TEMP ) ;
176 {175:148} ETHP+MO2=0.75 HCHO+HO2+0.75 ALD : ARR2( 1.18D-13 , -158.0_dp, TEMP ) ;
177 {176:149} HC3P+MO2=0.81 HCHO+0.992 HO2+0.58 ALD+0.018 KET+0.007 MO2+0.005 MGLY+0.085 XO2+0.119 GLY : ARR2( 9.46D-14 , -431.0_dp , TEMP) ;
178 {177:150} HC5P+MO2=0.829 HCHO+0.946 HO2+0.523 ALD+0.24 KET+0.014 ETHP+0.049 MO2+0.245 XO2 : ARR2( 1.00D-13 , -467.0_dp, TEMP ) ;
179 {178:151} HC8P+MO2=0.753 HCHO+0.993 HO2+0.411 ALD+0.419 KET+0.322 XO2+0.013 ETHP : ARR2( 4.34D-14 , -633.0_dp, TEMP ) ;
180 {179:152} ETEP+MO2=1.55 HCHO+HO2+0.35 ALD : ARR2( 1.71D-13 , -708.0_dp, TEMP ) ;
181 {180:153} OLTP+MO2=1.25 HCHO+HO2+0.669 ALD+0.081 KET : ARR2( 1.46D-13 , -708.0_dp, TEMP ) ;
182 {181:154} OLIP+MO2=0.755 HCHO+HO2+0.932 ALD+0.313 KET : ARR2( 9.18D-14 , -708.0_dp, TEMP ) ;
183 {182:155} ISOP+MO2=0.550 MACR+0.370 OLT+HO2+0.08 OLI+1.09 HCHO : ARR2( 1.36D-13 , -708.0_dp, TEMP ) ;
184 {183:156} APIP+MO2=HCHO+ALD+KET+2.0 HO2 : ARR2( 3.56D-14 , -708.0_dp, TEMP ) ;
185 {184:157} LIMP+MO2=1.4 HCHO+0.60 MACR+0.40 OLI+2.0 HO2 : ARR2( 3.56D-14 , -708.0_dp, TEMP ) ;
186 {185:158} TOLP+MO2=HCHO+HO2+0.35 MGLY+0.65 GLY+DCB : ARR2( 3.56D-14 , -708.0_dp, TEMP ) ;
187 {186:159} XYLP+MO2=HCHO+HO2+0.63 MGLY+0.37 GLY+DCB : ARR2( 3.56D-14 , -708.0_dp, TEMP ) ;
188 {187:160} CSLP+MO2=GLY+MGLY+HCHO+2.0 HO2 : ARR2( 3.56D-14 , -708.0_dp, TEMP ) ;
189 {188:161} ACO3+MO2=HCHO+HO2+MO2 : ARR2( 1.8D-12 , -500.0_dp, TEMP ) ;
190 {189:162} ACO3+MO2=HCHO+ORA2 : ARR2( 2.0D-13 , -500.0_dp, TEMP ) ;
191 {190:163} TCO3+MO2=2.0 HCHO+HO2+ACO3 : ARR2( 1.8D-12 , -500.0_dp, TEMP ) ;
192 {191:164} TCO3+MO2=HCHO+ORA2 : ARR2( 2.0D-13 , -500.0_dp, TEMP ) ;
193 {192:165} KETP+MO2=0.75 HCHO+0.88 HO2+0.40 MGLY+0.30 ALD+0.30 HKET+0.12 ACO3+0.08 XO2 : ARR2( 6.91D-13 , -508.0_dp, TEMP ) ;
194 {193:166} OLNN+MO2=0.75 HCHO+HO2+ONIT : ARR2( 1.60D-13 , -708.0_dp, TEMP ) ;
195 {194:167} OLND+MO2=0.96 HCHO+0.5 HO2+0.64 ALD+0.149 KET+0.5 NO2+0.5 ONIT : ARR2( 9.68D-14 , -708.0_dp, TEMP ) ;
196 {195:168} ETHP+ACO3=ALD+0.5 HO2+0.5 MO2+0.5 ORA2 : ARR2( 1.03D-12 , -211.0_dp, TEMP ) ;
197 {196:169} HC3P+ACO3=0.724 ALD+0.127 KET+0.488 HO2+0.508 MO2+0.006 ETHP+0.071 XO2+0.091 HCHO+0.10 GLY+0.499 ORA2+0.004 MGLY : ARR2( 6.90D-13 , -460.0_dp, TEMP ) ;
198 {197:170} HC5P+ACO3=0.677 ALD+0.33 KET+0.438 HO2+0.554 MO2+0.495 ORA2+0.018 ETHP+0.237 XO2+0.076 HCHO : ARR2( 5.59D-13 , -522.0_dp, TEMP ) ;
199 {198:171} HC8P+ACO3=0.497 ALD+0.581 KET+0.489 HO2+0.507 MO2+0.495 ORA2+0.015 ETHP+0.318 XO2 : ARR2( 2.47D-13 , -683.0_dp, TEMP ) ;
200 {199:172} ETEP+ACO3=0.8 HCHO+0.6 ALD+0.5 HO2+0.5 MO2+0.5 ORA2 : ARR2( 9.48D-13 , -765.0_dp, TEMP ) ;
201 {200:173} OLTP+ACO3=0.859 ALD+0.501 HCHO+0.501 HO2+0.501 MO2+0.499 ORA2+0.141 KET : ARR2( 8.11D-13 , -765.0_dp, TEMP ) ;
202 {201:174} OLIP+ACO3=0.941 ALD+0.569 KET+0.51 HO2+0.51 MO2+0.49 ORA2 : ARR2( 5.09D-13 , -765.0_dp, TEMP ) ;
203 {202:175} ISOP+ACO3=0.771 MACR+0.229 OLT+0.506 HO2+0.494 ORA2+0.340 HCHO+0.506 MO2 : ARR2( 7.60D-13 , -765.0_dp, TEMP ) ;
204 {203:176} APIP+ACO3=ALD+KET+HO2+MO2 : ARR2( 7.40D-13 , -765.0_dp, TEMP ) ;
205 {204:177} LIMP+ACO3=0.60 MACR+0.40 OLI+0.40 HCHO+HO2+MO2 : ARR2( 7.40D-13 , -765.0_dp, TEMP ) ;
206 {205:178} TOLP+ACO3=MO2+HO2+0.35 MGLY+0.65 GLY+DCB : ARR2( 7.40D-13 , -765.0_dp, TEMP ) ;
207 {206:179} XYLP+ACO3=MO2+HO2+0.63 MGLY+0.37 GLY+DCB : ARR2( 7.40D-13 , -765.0_dp, TEMP ) ;
208 {207:180} CSLP+ACO3=GLY+MGLY+MO2+HO2 : ARR2( 7.40D-13 , -765.0_dp, TEMP ) ;
209 {208:181} ACO3+ACO3=2.0 MO2 : ARR2( 2.5D-12 , -500.0_dp, TEMP ) ;
210 {209:182} TCO3+ACO3=MO2+ACO3+HCHO : ARR2( 2.5D-12 , -500.0_dp, TEMP ) ;
211 {210:183} KETP+ACO3=0.54 MGLY+0.35 ALD+0.11 KET+0.12 ACO3+0.38 HO2+0.08 XO2+0.5 MO2+0.5 ORA2 : ARR2( 7.51D-13 , -565.0_dp, TEMP ) ;
212 {211:184} OLNN+ACO3=ONIT+0.5 ORA2+0.5 MO2+0.5 HO2 : ARR2( 8.85D-13 , -765.0_dp, TEMP ) ;
213 {212:185} OLND+ACO3=0.207 HCHO+0.65 ALD+0.167 KET+0.484 ORA2+0.484 ONIT+0.516 NO2+0.516 MO2 : ARR2( 5.37D-13 , -765.0_dp, TEMP ) ;
214 {213:186} OLNN+OLNN=2.0 ONIT+HO2 : ARR2( 7.00D-14 , -1000.0_dp , TEMP) ;
215 {214:187} OLNN+OLND=0.202 HCHO+0.64 ALD+0.149 KET+0.50 HO2+1.50 ONIT+0.50 NO2 : ARR2( 4.25D-14 , -1000.0_dp, TEMP ) ;
216 {215:188} OLND+OLND=0.504 HCHO+1.21 ALD+0.285 KET+ONIT+NO2 : ARR2( 2.96D-14 , -1000.0_dp, TEMP ) ;
217 {216:189} MO2+NO3=HCHO+HO2+NO2 : 1.20D-12 ;
218 {217:190} ETHP+NO3=ALD+HO2+NO2 : 1.20D-12 ;
219 {218:191} HC3P+NO3=0.048 HCHO+0.243 ALD+0.67 KET+0.063 GLY+0.792 HO2+0.155 MO2+0.053 ETHP+0.051 XO2+NO2 : 1.20D-12 ;
220 {219:192} HC5P+NO3=0.021 HCHO+0.239 ALD+0.828 KET+0.699 HO2+0.04 MO2+0.262 ETHP+0.391 XO2+NO2 : 1.20D-12 ;
221 {220:193} HC8P+NO3=0.187 ALD+0.88 KET+0.845 HO2+0.155 ETHP+0.587 XO2+NO2 : 1.20D-12 ;
222 {221:194} ETEP+NO3=1.6 HCHO+0.2 ALD+HO2+NO2 : 1.20D-12 ;
223 {222:195} OLTP+NO3=HCHO+0.94 ALD+0.06 KET+HO2+NO2 : 1.20D-12 ;
224 {223:196} OLIP+NO3=1.71 ALD+0.29 KET+HO2+NO2 : 1.20D-12 ;
225 {224:197} MPAN+HO=HACE+NO2 : 3.2D-11 ;
226 {225:198} APIP+NO3=ALD+KET+HO2+NO2 : 1.20D-12 ;
227 {226:199} LIMP+NO3=0.60 MACR+0.40 OLI+0.40 HCHO+HO2+NO2 : 1.20D-12 ;
228 {227:200} TOLP+NO3=0.70 MGLY+1.30 GLY+0.50 DCB+HO2+NO2 : 1.20D-12 ;
229 {228:201} XYLP+NO3=1.26 MGLY+0.74 GLY+DCB+HO2+NO2 : 1.20D-12 ;
230 {229:202} CSLP+NO3=GLY+MGLY+HO2+NO2 : 1.20D-12;
231 {230:203} ACO3+NO3=MO2+NO2 : 4.00D-12;
232 {231:204} TCO3+NO3=HCHO+ACO3+NO2 : 4.00D-12;
233 {232:205} KETP+NO3=0.54 MGLY+0.46 ALD+0.77 HO2+0.23 ACO3+0.16 XO2+NO2 : 1.20D-12 ;
234 {233:206} OLNN+NO3=ONIT+HO2+NO2 : 1.20D-12 ;
235 {234:207} OLND+NO3=0.28 HCHO+1.24 ALD+0.469 KET+2.0 NO2 : 1.20D-12 ;
236 {235:208} XO2+HO2=OP2 : ARR2( 1.66D-13 , -1300.0_dp, TEMP ) ;
237 {236:209} XO2+MO2=HCHO+HO2 : ARR2( 5.99D-15 , -1510.0_dp, TEMP ) ;
238 {237:210} XO2+ACO3=MO2 : ARR2( 3.40D-14 , -1560.0_dp, TEMP ) ;
239 {238:211} XO2+XO2=M{O2} : ARR2( 7.13D-17 , -2950.0_dp, TEMP ) ;
240 {239:212} XO2+NO=NO2 : 4.00D-12 ;
241 {240:213} XO2+NO3=NO2 : 1.20D-12 ;
242 {241:214} ISOP+ISOP=2. MACR+HCHO+HO2 : 2.00D-12 ;
243 {242:215} ISHP+HO=MACR+HO : 1.00D-10 ;
244 {243:216} ISON+HO=HACE+NALD : 1.30D-11 ;
245 {244:217} MACP+NO=NO2+0.25 HACE+0.25 CO+0.25 ACO3+0.5 MGLY+0.75 HCHO+0.75 HO2 : ARR2( 2.54D-12 , -360.0_dp, TEMP ) ;
246 {245:218} MACP+HO2=MAHP : ARR2( 1.82D-13 , -1300.0_dp, TEMP ) ;
247 {246:219} MACP+MACP=HACE+MGLY+0.5 HCHO+0.5 CO+HO2 : 2.00D-12 ;
248 {247:220} MACP+NO2=MPAN : TROE( 9.70D-29 , 5.6_dp , 9.30D-12 , 1.5_dp , TEMP, C_M) ;
249 {248:221} MPAN=MACP+NO2 : TROEE(1.11D28,14000.0_dp,9.70D-29 , 5.6_dp , 9.30D-12 , 1.5_dp , TEMP, C_M ) ;
250 {249:222} SESQ+HO=0.36 KET+0.3 HCHO+0.05 ORA1+0.19 OLIP : 2.52D-10 ;
251 {250:223} SESQ+O3=0.51 HCHO+0.85 ALD+0.039 ORA1+0.23 KET+0.053 ORA2+0.63 HO : 5.60D-16 ;
252 {251:224} SESQ+NO3=0.9 OLNN+0.10 OLND+0.9 MACR : 2.20D-11 ;
253 {252:225} MBO+HO=OLIP : ARR2( 1.33D-11 , -500.0_dp, TEMP ) ;
254 {253:226} MBO+NO3=0.11 OLNN+0.89 OLND : ARR2( 8.64D-13 , -450.0_dp, TEMP ) ;
255 {254:227} MBO+O3=0.02 HCHO+0.99 ALD+0.16 KET+0.30 CO+0.011 H2O2+0.14 ORA2+0.07 CH4+0.22 HO2+0.63 HO+0.23 MO2+0.12 KETP+0.06 ETH+0.18 ETHP : ARR2( 4.40D-15 , 845.0_dp, TEMP ) ;
256 {255:228} CVASOA4+HO=1.075 CVASOA3+HO : ARR2(1.0D-11, 0.0_dp, TEMP);
257 {256:229} CVASOA3+HO=1.075 CVASOA2+HO : ARR2(1.0D-11, 0.0_dp, TEMP);
258 {257:230} CVASOA2+HO=1.075 CVASOA1+HO : ARR2(1.0D-11, 0.0_dp, TEMP);
259 {258:231} CVBSOA4+HO=1.075 CVBSOA3+HO : ARR2(1.0D-11, 0.0_dp, TEMP);
260 {259:232} CVBSOA3+HO=1.075 CVBSOA2+HO : ARR2(1.0D-11, 0.0_dp, TEMP);
261 {260:233} CVBSOA2+HO=1.075 CVBSOA1+HO : ARR2(1.0D-11, 0.0_dp, TEMP);
262 {261:234} HO+HCL=CL+H2O : (6.58D-13*EXP(58.0/TEMP)*(TEMP/300.0)**(1.16));
263 {262:235} O3+CL=CLO{+O2} : (2.3D-11*EXP(-200.0/TEMP));
264 {263:236} CLO+CLO=0.3 CL2+1.4 CL{+O2} : 1.63D-14;
265 {264:237} NO+CLO=CL+NO2 : (6.4D-12*EXP(290.0/TEMP));
266 {265:238} CLO+HO2=HOCL{+O2} : (2.7D-12*EXP(220.0/TEMP));
267 {266:239} NO2+CL=CLNO2 : k268(TEMP,C_M);
268 {267:240} CH4+CL=HCL+MO2 : (6.6D-12*EXP(-1240.0/TEMP));
269 {268:241} ETH+CL=HCL+0.991 ALD+XO2+HO2 : (8.3D-11*EXP(-100.0/TEMP));
270 {269:242} HC3+CL=HCL+XO2+0.11 HO2+0.11 ALD-0.11HC3 : 5.0D-11;
271 {270:243} HC5+CL=HCL+XO2+0.11 HO2+0.11 ALD-0.11HC5 : 5.0D-11;
272 {271:244} HC8+CL=HCL+XO2+0.11 HO2+0.11 ALD-0.11HC8 : 5.0D-11;
273 {272:245} ETE+CL=FMCL+2.0 XO2+HO2+HCHO : 1.07D-10;
274 {273:246} OLT+CL=FMCL+ALD+2.0 XO2+HO2-0.33HC3-0.33HC5-0.33HC8 : 2.5D-10;
275 {274:247} OLI+CL=0.3 HCL+0.7 FMCL+ALD+0.3 OLT+0.1 HC3+0.1 HC5+0.1 HC8+1.7 XO2+HO2 : 3.5D-10;
276 {275:248} ISO+CL=0.15 HCL+XO2+HO2+0.85 FMCL+ISOP : 4.3D-10;
277 {276:249} FMCL+HO=CL+CO+H2O : 5.0D-13;
278 {277:250} HCHO+CL=HCL+HO2+CO : (8.2D-11*EXP(-34.0/TEMP));
279 {278:251} ALD+CL=HCL+ACO3 : 1.05D-10;
280 {279:252} TOL+CL=HCL+XO2+0.88 HO2 : 6.1D-11;
281 {280:253} XYL+CL=HCL+XO2+0.84 HO2 : 1.2D-10;