| blob | 8afcd59c2fe5593bf290faf2227665b22e6c7951 |
1 #EQUATIONS {RADM2, check troee, k46, rc_n2o5 }
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=OH+NO : j(Pj_hno2) ;
6 {005:J05} HNO3+hv=OH+NO2 : j(Pj_hno3) ;
7 {006:J06} HNO4+hv=0.65 HO2+0.65 NO2+0.35 OH+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=OH+OH : 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+OH : j(Pj_ch3o2h) ;
15 {014:J14} OP2+hv=ALD+HO2+OH : j(Pj_ch3coch3) ;
16 {015:J15} PAA+hv=MO2+OH : 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 { 22:001 } O3P+M{=O2}=O3 : .20946e0*(C_M *6.00D-34*(TEMP/300.0)**(-2.3)) ;
24 { 23:002 } O3P+NO2=NO{+O2} : ARR2(6.5D-12, -120.0_dp, TEMP);
25 { 24:003 } O1D+M=O3P : .78084* ARR2(1.8D-11, -110.0_dp, TEMP) + .20946e0* ARR2(3.2D-11, -70.0_dp, TEMP);
26 { 26:005 } O1D+H2O=OH+OH : 2.2D-10 ;
27 { 27:006 } O3+NO=NO2{+O2} : ARR2(2.0D-12, 1400.0_dp, TEMP);
28 { 28:007 } O3+OH=HO2{+O2} : ARR2(1.6D-12, 940.0_dp, TEMP);
29 { 29:008 } O3+HO2=OH{+2.00 O2} : ARR2(1.1D-14, 500.0_dp, TEMP);
30 { 30:009 } HO2+NO=NO2+OH : ARR2(3.7D-12, -240.0_dp, TEMP);
31 { 31:010 } HO2+NO2=HNO4 : TROE( 1.80D-31 , 3.2_dp , 4.70D-12 , 1.4_dp , TEMP, C_M) ;
32 { 32:011 } HNO4=HO2+NO2 : TROEE( 4.76D26,10900.0_dp, 1.80D-31 , 3.2_dp , 4.70D-12 , 1.4_dp , TEMP, C_M ) ;
33 { 33:012 } HO2+HO2=H2O2 : (2.2D-13*EXP(600./TEMP) + 1.9D-33* C_M *EXP(980._dp/TEMP)) ;
34 { 34:013 } HO2+HO2+H2O=H2O2 : (3.08D-34* EXP(2800._dp/TEMP)+ 2.66D-54* C_M *EXP(3180._dp/TEMP)) ;
35 { 35:014 } H2O2+OH=HO2+H2O : ARR2(3.3D-12, 200.0_dp, TEMP);
36 { 36:015 } NO+OH=HONO : TROE( 7.00D-31 , 2.6_dp , 1.50D-11 , 0.5_dp , TEMP, C_M) ;
37 { 37:016 } NO+NO+M{=O2}=NO2+NO2 : .20946e0* ARR2(3.3D-39, -530.0_dp, TEMP);
38 { 38:017 } O3+NO2=NO3 : ARR2(1.4D-13, 2500.0_dp, TEMP);
39 { 39:018 } NO3+NO=NO2+NO2 : ARR2(1.7D-11, -150.0_dp, TEMP);
40 { 40:019 } NO3+NO2=NO+NO2{+O2} : ARR2(2.5D-14, 1230.0_dp, TEMP);
41 { 41:020 } NO3+HO2=HNO3{+O2} : 2.5D-12 ;
42 { 42:021 } NO3+NO2=N2O5 : TROE( 2.20D-30 , 4.3_dp , 1.50D-12 , 0.5_dp , TEMP, C_M) ;
43 { 43:022 } N2O5=NO2+NO3 : TROEE(9.09D26,11200.0_dp, 2.20D-30 , 4.3_dp , 1.50D-12 , 0.5_dp , TEMP, C_M ) ;
44 { 44:137, 14} N2O5=2.00 HNO3 : rc_n2o5;
45 { 45:024 } OH+NO2=HNO3 : TROE( 2.60D-30 , 3.2_dp , 2.40D-11 , 1.3_dp , TEMP, C_M) ;
46 { 46:025 } OH+HNO3=NO3+H2O : k46(TEMP,C_M) ;
47 { 47:026 } OH+HNO4=NO2+H2O{+O2} : ARR2(1.3D-12, -380.0_dp, TEMP);
48 { 48:027 } OH+HO2=H2O{+O2} : ARR2(4.6D-11, -230.0_dp, TEMP);
49 { 49:028 } OH+SO2=SULF+HO2 : TROE( 3.00D-31 , 3.3_dp , 1.50D-12 , 0.0_dp , TEMP, C_M) ;
50 { 50:029 } CO+OH=HO2+CO2 : (1.5D-13 * (1._dp + 2.439D-20*C_M));
51 { 51:030 } CH4+OH=MO2+H2O : THERMAL_T2(6.95D-18, 1280.0_dp, TEMP) ;
52 { 52:031 } ETH+OH=ETHP+H2O : THERMAL_T2(1.37D-17, 444.0_dp, TEMP) ;
53 { 53:032 } HC3+OH=0.83 HC3P+0.17 HO2
54 +0.009 HCHO+0.075 ALD
55 +0.025 KET+H2O : ARR2(1.59D-11, 540.0_dp, TEMP);
56 { 54:033 } HC5+OH=HC5P+0.25 XO2+H2O : ARR2(1.73D-11, 380.0_dp, TEMP);
57 { 55:034 } HC8+OH=HC8P+0.75 XO2+H2O : ARR2(3.64D-11, 380.0_dp, TEMP);
58 { 56:035 } OL2+OH=OL2P : ARR2(2.15D-12, -411.0_dp, TEMP);
59 { 57:036 } OLT+OH=OLTP : ARR2(5.32D-12, -504.0_dp, TEMP);
60 { 58:037 } OLI+OH=OLIP : ARR2(1.07D-11, -549.0_dp, TEMP);
61 { 59:038 } TOL+OH=0.75 TOLP+0.25 CSL
62 +0.25 HO2 : ARR2(2.1D-12, -322.0_dp, TEMP);
63 { 60:039 } XYL+OH=0.83 XYLP+0.17 CSL
64 +0.17 HO2 : ARR2(1.89D-11, -116.0_dp, TEMP);
65 { 61:040 } CSL+OH=0.10 HO2+0.90 XO2
66 +0.90 TCO3-0.90 OH : 4.0D-11 ;
67 { 62:041 } HCHO+OH=HO2+CO+H2O : 9.0D-12 ;
68 { 63:042 } ALD+OH=ACO3+H2O : ARR2(6.87D-12, -256.0_dp, TEMP);
69 { 64:043 } KET+OH=KETP+H2O : ARR2(1.2D-11, 745.0_dp, TEMP);
70 { 65:044 } GLY+OH=HO2+2.00 CO+H2O : 1.15D-11 ;
71 { 66:045 } MGLY+OH=ACO3+CO+H2O : 1.7D-11 ;
72 { 67:046 } DCB+OH=TCO3+H2O : 2.8D-11 ;
73 { 68:047 } OP1+OH=0.50 MO2+0.50 HCHO
74 +0.50 OH : 1.0D-11 ;
75 { 69:048 } OP2+OH=0.50 HC3P+0.50 ALD
76 +0.50 OH : 1.0D-11 ;
77 { 70:049 } PAA+OH=ACO3+H2O : 1.0D-11 ;
78 { 71:050 } PAN+OH=HCHO+NO3+XO2 : THERMAL_T2(6.85D-18, 444.0_dp, TEMP) ;
79 { 72:051 } ONIT+OH=HC3P+NO2 : ARR2(1.55D-11, 540.0_dp, TEMP);
80 { 73:052 } ISO+OH=OLTP : ARR2(2.55D-11, -409.0_dp, TEMP);
81 { 74:053 } ACO3+NO2=PAN : ARR2(2.8D-12, -181.0_dp, TEMP);
82 { 75:054 } PAN=ACO3+NO2 : ARR2(1.95D+16, 13543.0_dp, TEMP);
83 { 76:055 } TCO3+NO2=TPAN : 4.7D-12 ;
84 { 77:056 } TPAN=TCO3+NO2 : ARR2(1.95D+16, 13543.0_dp, TEMP);
85 { 78:057 } MO2+NO=HCHO+HO2+NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
86 { 79:058 } HC3P+NO=0.75 ALD+0.25 KET
87 +0.09 HCHO+0.036 ONIT
88 +0.964 NO2+0.964 HO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
89 { 80:060 } HC5P+NO=0.38 ALD+0.69 KET
90 +0.08 ONIT+0.92 NO2
91 +0.92 HO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
92 { 81:062 } HC8P+NO=0.35 ALD+1.06 KET
93 +0.04 HCHO+0.24 ONIT
94 +0.76 NO2+0.76 HO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
95 { 82:064 } OL2P+NO=1.60 HCHO+HO2+NO2
96 +0.20 ALD : ARR2(4.2D-12, -180.0_dp, TEMP);
97 { 83:065 } OLTP+NO=ALD+HCHO+HO2+NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
98 { 84:066 } OLIP+NO=HO2+1.45 ALD
99 +0.28 HCHO+0.10 KET+NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
100 { 85:067 } ACO3+NO=MO2+NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
101 { 86:068 } TCO3+NO=NO2+0.92 HO2
102 +0.89 GLY+0.11 MGLY
103 +0.05 ACO3+0.95 CO
104 +2.00 XO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
105 { 87:069 } TOLP+NO=NO2+HO2+0.17 MGLY
106 +0.16 GLY+0.70 DCB : ARR2(4.2D-12, -180.0_dp, TEMP);
107 { 88:070 } XYLP+NO=NO2+HO2+0.45 MGLY
108 +0.806 DCB : ARR2(4.2D-12, -180.0_dp, TEMP);
109 { 89:071 } ETHP+NO=ALD+HO2+NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
110 { 90:072 } KETP+NO=MGLY+NO2+HO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
111 { 91:073 } OLN+NO=HCHO+ALD+2.00 NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
112 { 92:074 } HCHO+NO3=HO2+HNO3+CO : ARR2(6.0D-13, 2058.0_dp, TEMP);
113 { 93:075 } ALD+NO3=ACO3+HNO3 : ARR2(1.4D-12, 1900.0_dp, TEMP);
114 { 94:076 } GLY+NO3=HNO3+HO2+2.00 CO : ARR2(6.0D-13, 2058.0_dp, TEMP);
115 { 95:077 } MGLY+NO3=HNO3+ACO3+CO : ARR2(1.4D-12, 1900.0_dp, TEMP);
116 { 96:078 } DCB+NO3=HNO3+TCO3 : ARR2(1.4D-12, 1900.0_dp, TEMP);
117 { 97:079 } CSL+NO3=HNO3+XNO2+0.50 CSL : 2.2D-11 ;
118 { 98:080 } OL2+NO3=OLN : ARR2(2.0D-12, 2923.0_dp, TEMP);
119 { 99:081 } OLT+NO3=OLN : ARR2(1.0D-11, 1895.0_dp, TEMP);
120 {100:082 } OLI+NO3=OLN : ARR2(3.23D-11, 975.0_dp, TEMP);
121 {101:083 } ISO+NO3=OLN : 5.81D-13 ;
122 {102:084 } OL2+O3=HCHO+0.42 CO+0.40 ORA1
123 +0.12 HO2 : ARR2(1.2D-14, 2633.0_dp, TEMP);
124 {103:085 } OLT+O3=0.53 HCHO+0.50 ALD
125 +0.33 CO+0.20 ORA1
126 +0.20 ORA2+0.23 HO2
127 +0.22 MO2+0.10 OH
128 +0.06 CH4 : ARR2(1.32D-14, 2105.0_dp, TEMP);
129 {104:086 } OLI+O3=0.18 HCHO+0.72 ALD
130 +0.10 KET+0.23 CO
131 +0.06 ORA1+0.29 ORA2
132 +0.09 CH4+0.26 HO2
133 +0.31 MO2+0.14 OH : ARR2(7.29D-15, 1136.0_dp, TEMP);
134 {105:087 } ISO+O3=0.53 HCHO+0.50 ALD
135 +0.33 CO+0.20 ORA1
136 +0.20 ORA2+0.23 HO2
137 +0.22 MO2+0.10 OH : ARR2(1.23D-14, 2013.0_dp, TEMP);
138 {106:088 } HO2+MO2=OP1 : ARR2(7.7D-14, -1300.0_dp, TEMP);
139 {107:089 } HO2+ETHP=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
140 {108:090 } HO2+HC3P=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
141 {109:091 } HO2+HC5P=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
142 {110:092 } HO2+HC8P=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
143 {111:093 } HO2+OL2P=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
144 {112:094 } HO2+OLTP=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
145 {113:095 } HO2+OLIP=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
146 {114:096 } HO2+KETP=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
147 {115:097 } HO2+ACO3=PAA : ARR2(7.7D-14, -1300.0_dp, TEMP);
148 {116:098 } HO2+TOLP= OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
149 {117:099 } HO2+XYLP=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
150 {118:100 } HO2+TCO3=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
151 {119:101 } HO2+OLN=ONIT : ARR2(7.7D-14, -1300.0_dp, TEMP);
152 {120:102 } MO2+MO2=1.50 HCHO+HO2 : ARR2(1.9D-13, -220.0_dp, TEMP);
153 {121:103 } MO2+ETHP=0.75 HCHO+HO2
154 +0.75 ALD : ARR2(1.4D-13, -220.0_dp, TEMP);
155 {122:104 } MO2+HC3P=0.75 HCHO+HO2
156 +0.15 ALD+0.6 KET : ARR2(4.2D-14, -220.0_dp, TEMP);
157 {123:105 } MO2+HC5P=0.77 HCHO+HO2
158 +0.41 ALD+0.75 KET : ARR2(3.4D-14, -220.0_dp, TEMP);
159 {124:106 } MO2+HC8P=0.80 HCHO+HO2
160 +0.46 ALD+1.39 KET : ARR2(2.9D-14, -220.0_dp, TEMP);
161 {125:107 } MO2+OL2P=1.55 HCHO+HO2
162 +0.35 ALD : ARR2(1.4D-13, -220.0_dp, TEMP);
163 {126:108 } MO2+OLTP=1.25 HCHO+HO2
164 +0.75 ALD : ARR2(1.4D-13, -220.0_dp, TEMP);
165 {127:109 } MO2+OLIP=0.89 HCHO+HO2
166 +0.725 ALD+0.55 KET : ARR2(1.7D-14, -220.0_dp, TEMP);
167 {128:110 } MO2+KETP=0.75 HCHO+HO2
168 +0.75 MGLY : ARR2(1.7D-14, -220.0_dp, TEMP);
169 {129:111 } MO2+ACO3=HCHO+0.50 HO2
170 +0.50 MO2+0.50 ORA2 : ARR2(9.6D-13, -220.0_dp, TEMP);
171 {130:112 } MO2+TOLP=HCHO+2.00 HO2
172 +0.17 MGLY+0.16 GLY
173 +0.70 DCB : ARR2(1.7D-14, -220.0_dp, TEMP);
174 {131:113 } MO2+XYLP=HCHO+2.00 HO2
175 +0.45 MGLY+0.806 DCB : ARR2(1.7D-14, -220.0_dp, TEMP);
176 {132:114 } MO2+TCO3=0.50 HCHO+0.50 ORA2
177 +0.445 GLY+0.055 MGLY
178 +0.025 ACO3+0.475 CO
179 +0.46 HO2+XO2 : ARR2(9.6D-13, -220.0_dp, TEMP);
180 {133:115 } ETHP+ACO3=ALD+0.50 HO2
181 +0.50 MO2+0.50 ORA2 : ARR2(3.4D-13, -220.0_dp, TEMP);
182 {134:116 } HC3P+ACO3=0.2 ALD+0.8 KET
183 +0.50 HO2+0.50 ORA2
184 +0.50 MO2 : ARR2(1.0D-13, -220.0_dp, TEMP);
185 {135:117 } HC5P+ACO3=0.14 ALD+0.86 KET
186 +0.50 HO2+0.50 ORA2
187 +0.50 MO2 : ARR2(8.4D-14, -220.0_dp, TEMP);
188 {136:118 } HC8P+ACO3=0.1 ALD+0.9 KET
189 +0.50 HO2+0.50 ORA2
190 +0.50 MO2 : ARR2(7.2D-14, -220.0_dp, TEMP);
191 {137:119 } OL2P+ACO3=0.80 HCHO+0.60 ALD
192 +0.50 HO2+0.50 ORA2
193 +0.50 MO2 : ARR2(3.4D-13, -220.0_dp, TEMP);
194 {138:120 } OLTP+ACO3=ALD+0.50 HCHO
195 +0.50 HO2+0.50 ORA2
196 +0.50 MO2 : ARR2(3.4D-13, -220.0_dp, TEMP);
197 {139:121 } OLIP+ACO3=0.725 ALD+0.55 KET
198 +0.14 HCHO+0.50 HO2
199 +0.50 MO2+0.50 ORA2 : ARR2(4.2D-14, -220.0_dp, TEMP);
200 {140:122 } KETP+ACO3=MGLY+0.50 HO2
201 +0.50 ORA2+0.50 MO2 : ARR2(4.2D-14, -220.0_dp, TEMP);
202 {141:123 } ACO3+ACO3=2.00 MO2 : ARR2(1.19D-12, -220.0_dp, TEMP);
203 {142:124 } ACO3+TOLP=0.8 MGLY+0.2 GLY
204 +1.00 DCB+HO2+MO2 : ARR2(4.2D-14, -220.0_dp, TEMP);
205 {143:125 } ACO3+XYLP=MO2+1.00 MGLY
206 +1.00 DCB+HO2 : ARR2(4.2D-14, -220.0_dp, TEMP);
207 {144:126 } ACO3+TCO3=MO2+0.92 HO2
208 +0.89 GLY+0.11 MGLY
209 +0.05 ACO3+0.95 CO
210 +2.00 XO2 : ARR2(1.19D-12, -220.0_dp, TEMP);
211 {145:127 } XO2+HO2=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
212 {146:128 } XO2+MO2=HCHO+HO2 : ARR2(1.7D-14, -220.0_dp, TEMP);
213 {147:129 } XO2+ACO3=MO2 : ARR2(4.2D-14, -220.0_dp, TEMP);
214 {148:130 } XO2+XO2=H2O : ARR2(3.6D-16, -220.0_dp, TEMP);
215 {149:131 } XO2+NO=NO2 : ARR2(4.2D-12, -180.0_dp, TEMP);
216 {150:132 } XNO2+NO2=ONIT : ARR2(4.2D-12, -180.0_dp, TEMP);
217 {151:133 } XNO2+HO2=OP2 : ARR2(7.7D-14, -1300.0_dp, TEMP);
218 {152:134 } XNO2+MO2=HCHO+HO2 : ARR2(1.7D-14, -220.0_dp, TEMP);
219 {153:135 } XNO2+ACO3=MO2 : ARR2(4.2D-14, -220.0_dp, TEMP);
220 {154:136 } XNO2+XNO2=H2O : ARR2(3.6D-16, -220.0_dp, TEMP);
221 {155:138 } MO2+OLN=1.75 HCHO+.5 HO2
222 +ALD+NO2 : ARR2(1.7D-14, -220.0_dp, TEMP);
223 {156:139 } ACO3+OLN=HCHO+ALD+0.50 ORA2
224 +NO2+0.50 MO2 : ARR2(4.2D-14, -220.0_dp, TEMP);
225 {157:140 } OLN+OLN=2.00 HCHO+2.00 ALD
226 +2.00 NO2 : ARR2(3.6D-16, -220.0_dp, TEMP);