| blob | 118325b57ab22f6ee7eb8371fca0bd36a375aae8 |
1 #EQUATIONS {RADM2, check n2o5, troee}
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+O2=O3 : (C_M *6.00e-34*(TEMP/300.0)**(-2.3)) ;
24 { 23:002 } O3P+NO2=NO+O2 : ARR2(6.5E-12, -120.0, TEMP);
25 { 24:003 } O1D+N2=O3P+N2 : ARR2(1.8E-11, -110.0, TEMP);
26 { 25:004 } O1D+O2=O3P+O2 : ARR2(3.2E-11, -70.0, TEMP);
27 { 26:005 } O1D+H2O=OH+OH : 2.2E-10 ;
28 { 27:006 } O3+NO=NO2+O2 : ARR2(2.0E-12, 1400.0, TEMP);
29 { 28:007 } O3+OH=HO2+O2 : ARR2(1.6E-12, 940.0, TEMP);
30 { 29:008 } O3+HO2=OH+2.00 O2 : ARR2(1.1E-14, 500.0, TEMP);
31 { 30:009 } HO2+NO=NO2+OH : ARR2(3.7E-12, -240.0, TEMP);
32 { 31:010 } HO2+NO2=HNO4 : TROE( 1.80e-31 , 3.2 , 4.70e-12 , 1.4 , TEMP, C_M) ;
33 { 32:011 } HNO4=HO2+NO2 : TROEE( 4.76e26,10900.0, 1.80e-31 , 3.2 , 4.70e-12 , 1.4 , TEMP, C_M ) ;
34 { 33:012 } HO2+HO2=H2O2 : (2.2e-13*EXP(600./TEMP) + 1.9e-33* C_M *EXP(980./TEMP)) ;
35 { 34:013 } HO2+HO2+H2O=H2O2 : (3.08e-34* EXP(2800./TEMP)+ 2.66e-54* C_M *EXP(3180./TEMP)) ;
36 { 35:014 } H2O2+OH=HO2+H2O : ARR2(3.3E-12, 200.0, TEMP);
37 { 36:015 } NO+OH=HONO : TROE( 7.00e-31 , 2.6 , 1.50e-11 , 0.5 , TEMP, C_M) ;
38 { 37:016 } NO+NO+O2=NO2+NO2 : ARR2(3.3E-39, -530.0, TEMP);
39 { 38:017 } O3+NO2=NO3 : ARR2(1.4E-13, 2500.0, TEMP);
40 { 39:018 } NO3+NO=NO2+NO2 : ARR2(1.7E-11, -150.0, TEMP);
41 { 40:019 } NO3+NO2=NO+NO2+O2 : ARR2(2.5E-14, 1230.0, TEMP);
42 { 41:020 } NO3+HO2=HNO3+O2 : 2.5E-12 ;
44 { 42:021 } NO3+NO2=N2O5 : TROE( 2.20e-30 , 4.3 , 1.50e-12 , 0.5 , TEMP, C_M) ;
45 { 43:022 } N2O5=NO2+NO3 : TROEE(9.09e26,11200.0, 2.20e-30 , 4.3 , 1.50e-12 , 0.5 , TEMP, C_M ) ;
46 { !!!!! 44:137 N2O5=2.00 HNO3 : call rh_N2O5 ;}
47 { 45:024 } OH+NO2=HNO3 : TROE( 2.60e-30 , 3.2 , 2.40e-11 , 1.3 , TEMP, C_M) ;
48 { 46:025 } OH+HNO3=NO3+H2O : (7.2E-15 * exp(785/TEMP) + 1.9E-33 * exp(725/TEMP) * C_M / (1+(1.9E-33 * exp(725/TEMP)*C_M)/(4.1E-16 * exp(1440/TEMP))));
49 { 47:026 } OH+HNO4=NO2+H2O+O2 : ARR2(1.3E-12, -380.0, TEMP);
50 { 48:027 } OH+HO2=H2O+O2 : ARR2(4.6E-11, -230.0, TEMP);
51 { 49:028 } OH+SO2=SULF+HO2 : TROE( 3.00e-31 , 3.3 , 1.50e-12 , 0.0 , TEMP, C_M) ;
52 { 50:029 } CO+OH=HO2+CO2 : (1.5E-13 * (1 + 2.439E-20*C_M));
53 { 51:030 } CH4+OH=MO2+H2O : ARR2(6.95E-18, 1280.0, TEMP) ;
54 { 52:031 } ETH+OH=ETHP+H2O : ARR2(1.37E-17, 444.0, TEMP) ;
55 { 53:032 } HC3+OH=0.83 HC3P+0.17 HO2
56 +0.009 HCHO+0.075 ALD
57 +0.025 KET+H2O : ARR2(1.59E-11, 540.0, TEMP);
58 { 54:033 } HC5+OH=HC5P+0.25 XO2+H2O : ARR2(1.73E-11, 380.0, TEMP);
59 { 55:034 } HC8+OH=HC8P+0.75 XO2+H2O : ARR2(3.64E-11, 380.0, TEMP);
60 { 56:035 } OL2+OH=OL2P : ARR2(2.15E-12, -411.0, TEMP);
61 { 57:036 } OLT+OH=OLTP : ARR2(5.32E-12, -504.0, TEMP);
62 { 58:037 } OLI+OH=OLIP : ARR2(1.07E-11, -549.0, TEMP);
63 { 59:038 } TOL+OH=0.75 TOLP+0.25 CSL
64 +0.25 HO2 : ARR2(2.1E-12, -322.0, TEMP);
65 { 60:039 } XYL+OH=0.83 XYLP+0.17 CSL
66 +0.17 HO2 : ARR2(1.89E-11, -116.0, TEMP);
67 { 61:040 } CSL+OH=0.10 HO2+0.90 XO2
68 +0.90 TCO3-0.90 OH : 4.0E-11 ;
69 { 62:041 } HCHO+OH=HO2+CO+H2O : 9.0E-12 ;
70 { 63:042 } ALD+OH=ACO3+H2O : ARR2(6.87E-12, -256.0, TEMP);
71 { 64:043 } KET+OH=KETP+H2O : ARR2(1.2E-11, 745.0, TEMP);
72 { 65:044 } GLY+OH=HO2+2.00 CO+H2O : 1.15E-11 ;
73 { 66:045 } MGLY+OH=ACO3+CO+H2O : 1.7E-11 ;
74 { 67:046 } DCB+OH=TCO3+H2O : 2.8E-11 ;
75 { 68:047 } OP1+OH=0.50 MO2+0.50 HCHO
76 +0.50 OH : 1.0E-11 ;
77 { 69:048 } OP2+OH=0.50 HC3P+0.50 ALD
78 +0.50 OH : 1.0E-11 ;
79 { 70:049 } PAA+OH=ACO3+H2O : 1.0E-11 ;
80 { 71:050 } PAN+OH=HCHO+NO3+XO2 : t2arr(6.85E-18, 444.0) ;
81 { 72:051 } ONIT+OH=HC3P+NO2 : ARR2(1.55E-11, 540.0, TEMP);
82 { 73:052 } ISO+OH=OLTP : ARR2(2.55E-11, -409.0, TEMP);
83 { 74:053 } ACO3+NO2=PAN : ARR2(2.8E-12, -181.0, TEMP);
84 { 75:054 } PAN=ACO3+NO2 : ARR2(1.95E+16, 13543.0, TEMP);
85 { 76:055 } TCO3+NO2=TPAN : 4.7E-12 ;
86 { 77:056 } TPAN=TCO3+NO2 : ARR2(1.95E+16, 13543.0, TEMP);
87 { 78:057 } MO2+NO=HCHO+HO2+NO2 : ARR2(4.2E-12, -180.0, TEMP);
88 { 79:058 } HC3P+NO=0.75 ALD+0.25 KET
89 +0.09 HCHO+0.036 ONIT
90 +0.964 NO2+0.964 HO2 : ARR2(4.2E-12, -180.0, TEMP);
91 { 80:060 } HC5P+NO=0.38 ALD+0.69 KET
92 +0.08 ONIT+0.92 NO2
93 +0.92 HO2 : ARR2(4.2E-12, -180.0, TEMP);
94 { 81:062 } HC8P+NO=0.35 ALD+1.06 KET
95 +0.04 HCHO+0.24 ONIT
96 +0.76 NO2+0.76 HO2 : ARR2(4.2E-12, -180.0, TEMP);
97 { 82:064 } OL2P+NO=1.60 HCHO+HO2+NO2
98 +0.20 ALD : ARR2(4.2E-12, -180.0, TEMP);
99 { 83:065 } OLTP+NO=ALD+HCHO+HO2+NO2 : ARR2(4.2E-12, -180.0, TEMP);
100 { 84:066 } OLIP+NO=HO2+1.45 ALD
101 +0.28 HCHO+0.10 KET+NO2 : ARR2(4.2E-12, -180.0, TEMP);
102 { 85:067 } ACO3+NO=MO2+NO2 : ARR2(4.2E-12, -180.0, TEMP);
103 { 86:068 } TCO3+NO=NO2+0.92 HO2
104 +0.89 GLY+0.11 MGLY
105 +0.05 ACO3+0.95 CO
106 +2.00 XO2 : ARR2(4.2E-12, -180.0, TEMP);
107 { 87:069 } TOLP+NO=NO2+HO2+0.17 MGLY
108 +0.16 GLY+0.70 DCB : ARR2(4.2E-12, -180.0, TEMP);
109 { 88:070 } XYLP+NO=NO2+HO2+0.45 MGLY
110 +0.806 DCB : ARR2(4.2E-12, -180.0, TEMP);
111 { 89:071 } ETHP+NO=ALD+HO2+NO2 : ARR2(4.2E-12, -180.0, TEMP);
112 { 90:072 } KETP+NO=MGLY+NO2+HO2 : ARR2(4.2E-12, -180.0, TEMP);
113 { 91:073 } OLN+NO=HCHO+ALD+2.00 NO2 : ARR2(4.2E-12, -180.0, TEMP);
114 { 92:074 } HCHO+NO3=HO2+HNO3+CO : ARR2(6.0E-13, 2058.0, TEMP);
115 { 93:075 } ALD+NO3=ACO3+HNO3 : ARR2(1.4E-12, 1900.0, TEMP);
116 { 94:076 } GLY+NO3=HNO3+HO2+2.00 CO : ARR2(6.0E-13, 2058.0, TEMP);
117 { 95:077 } MGLY+NO3=HNO3+ACO3+CO : ARR2(1.4E-12, 1900.0, TEMP);
118 { 96:078 } DCB+NO3=HNO3+TCO3 : ARR2(1.4E-12, 1900.0, TEMP);
119 { 97:079 } CSL+NO3=HNO3+XNO2+0.50 CSL : 2.2E-11 ;
120 { 98:080 } OL2+NO3=OLN : ARR2(2.0E-12, 2923.0, TEMP);
121 { 99:081 } OLT+NO3=OLN : ARR2(1.0E-11, 1895.0, TEMP);
122 {100:082 } OLI+NO3=OLN : ARR2(3.23E-11, 975.0, TEMP);
123 {101:083 } ISO+NO3=OLN : 5.81E-13 ;
124 {102:084 } OL2+O3=HCHO+0.42 CO+0.40 ORA1
125 +0.12 HO2 : ARR2(1.2E-14, 2633.0, TEMP);
126 {103:085 } OLT+O3=0.53 HCHO+0.50 ALD
127 +0.33 CO+0.20 ORA1
128 +0.20 ORA2+0.23 HO2
129 +0.22 MO2+0.10 OH
130 +0.06 CH4 : ARR2(1.32E-14, 2105.0, TEMP);
131 {104:086 } OLI+O3=0.18 HCHO+0.72 ALD
132 +0.10 KET+0.23 CO
133 +0.06 ORA1+0.29 ORA2
134 +0.09 CH4+0.26 HO2
135 +0.31 MO2+0.14 OH : ARR2(7.29E-15, 1136.0, TEMP);
136 {105:087 } ISO+O3=0.53 HCHO+0.50 ALD
137 +0.33 CO+0.20 ORA1
138 +0.20 ORA2+0.23 HO2
139 +0.22 MO2+0.10 OH : ARR2(1.23E-14, 2013.0, TEMP);
140 {106:088 } HO2+MO2=OP1 : ARR2(7.7E-14, -1300.0, TEMP);
141 {107:089 } HO2+ETHP=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
142 {108:090 } HO2+HC3P=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
143 {109:091 } HO2+HC5P=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
144 {110:092 } HO2+HC8P=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
145 {111:093 } HO2+OL2P=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
146 {112:094 } HO2+OLTP=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
147 {113:095 } HO2+OLIP=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
148 {114:096 } HO2+KETP=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
149 {115:097 } HO2+ACO3=PAA : ARR2(7.7E-14, -1300.0, TEMP);
150 {116:098 } HO2+TOLP= OP2 : ARR2(7.7E-14, -1300.0, TEMP);
151 {117:099 } HO2+XYLP=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
152 {118:100 } HO2+TCO3=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
153 {119:101 } HO2+OLN=ONIT : ARR2(7.7E-14, -1300.0, TEMP);
154 {120:102 } MO2+MO2=1.50 HCHO+HO2 : ARR2(1.9E-13, -220.0, TEMP);
155 {121:103 } MO2+ETHP=0.75 HCHO+HO2
156 +0.75 ALD : ARR2(1.4E-13, -220.0, TEMP);
157 {122:104 } MO2+HC3P=0.75 HCHO+HO2
158 +0.15 ALD+0.6 KET : ARR2(4.2E-14, -220.0, TEMP);
159 {123:105 } MO2+HC5P=0.77 HCHO+HO2
160 +0.41 ALD+0.75 KET : ARR2(3.4E-14, -220.0, TEMP);
161 {124:106 } MO2+HC8P=0.80 HCHO+HO2
162 +0.46 ALD+1.39 KET : ARR2(2.9E-14, -220.0, TEMP);
163 {125:107 } MO2+OL2P=1.55 HCHO+HO2
164 +0.35 ALD : ARR2(1.4E-13, -220.0, TEMP);
165 {126:108 } MO2+OLTP=1.25 HCHO+HO2
166 +0.75 ALD : ARR2(1.4E-13, -220.0, TEMP);
167 {127:109 } MO2+OLIP=0.89 HCHO+HO2
168 +0.725 ALD+0.55 KET : ARR2(1.7E-14, -220.0, TEMP);
169 {128:110 } MO2+KETP=0.75 HCHO+HO2
170 +0.75 MGLY : ARR2(1.7E-14, -220.0, TEMP);
171 {129:111 } MO2+ACO3=HCHO+0.50 HO2
172 +0.50 MO2+0.50 ORA2 : ARR2(9.6E-13, -220.0, TEMP);
173 {130:112 } MO2+TOLP=HCHO+2.00 HO2
174 +0.17 MGLY+0.16 GLY
175 +0.70 DCB : ARR2(1.7E-14, -220.0, TEMP);
176 {131:113 } MO2+XYLP=HCHO+2.00 HO2
177 +0.45 MGLY+0.806 DCB : ARR2(1.7E-14, -220.0, TEMP);
178 {132:114 } MO2+TCO3=0.50 HCHO+0.50 ORA2
179 +0.445 GLY+0.055 MGLY
180 +0.025 ACO3+0.475 CO
181 +0.46 HO2+XO2 : ARR2(9.6E-13, -220.0, TEMP);
182 {133:115 } ETHP+ACO3=ALD+0.50 HO2
183 +0.50 MO2+0.50 ORA2 : ARR2(3.4E-13, -220.0, TEMP);
184 {134:116 } HC3P+ACO3=0.2 ALD+0.8 KET
185 +0.50 HO2+0.50 ORA2
186 +0.50 MO2 : ARR2(1.0E-13, -220.0, TEMP);
187 {135:117 } HC5P+ACO3=0.14 ALD+0.86 KET
188 +0.50 HO2+0.50 ORA2
189 +0.50 MO2 : ARR2(8.4E-14, -220.0, TEMP);
190 {136:118 } HC8P+ACO3=0.1 ALD+0.9 KET
191 +0.50 HO2+0.50 ORA2
192 +0.50 MO2 : ARR2(7.2E-14, -220.0, TEMP);
193 {137:119 } OL2P+ACO3=0.80 HCHO+0.60 ALD
194 +0.50 HO2+0.50 ORA2
195 +0.50 MO2 : ARR2(3.4E-13, -220.0, TEMP);
196 {138:120 } OLTP+ACO3=ALD+0.50 HCHO
197 +0.50 HO2+0.50 ORA2
198 +0.50 MO2 : ARR2(3.4E-13, -220.0, TEMP);
199 {139:121 } OLIP+ACO3=0.725 ALD+0.55 KET
200 +0.14 HCHO+0.50 HO2
201 +0.50 MO2+0.50 ORA2 : ARR2(4.2E-14, -220.0, TEMP);
202 {140:122 } KETP+ACO3=MGLY+0.50 HO2
203 +0.50 ORA2+0.50 MO2 : ARR2(4.2E-14, -220.0, TEMP);
204 {141:123 } ACO3+ACO3=2.00 MO2 : ARR2(1.19E-12, -220.0, TEMP);
205 {142:124 } ACO3+TOLP=0.8 MGLY+0.2 GLY
206 +1.00 DCB+HO2+MO2 : ARR2(4.2E-14, -220.0, TEMP);
207 {143:125 } ACO3+XYLP=MO2+1.00 MGLY
208 +1.00 DCB+HO2 : ARR2(4.2E-14, -220.0, TEMP);
209 {144:126 } ACO3+TCO3=MO2+0.92 HO2
210 +0.89 GLY+0.11 MGLY
211 +0.05 ACO3+0.95 CO
212 +2.00 XO2 : ARR2(1.19E-12, -220.0, TEMP);
213 {145:127 } XO2+HO2=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
214 {146:128 } XO2+MO2=HCHO+HO2 : ARR2(1.7E-14, -220.0, TEMP);
215 {147:129 } XO2+ACO3=MO2 : ARR2(4.2E-14, -220.0, TEMP);
216 {148:130 } XO2+XO2=H2O : ARR2(3.6E-16, -220.0, TEMP);
217 {149:131 } XO2+NO=NO2 : ARR2(4.2E-12, -180.0, TEMP);
218 {150:132 } XNO2+NO2=ONIT : ARR2(4.2E-12, -180.0, TEMP);
219 {151:133 } XNO2+HO2=OP2 : ARR2(7.7E-14, -1300.0, TEMP);
220 {152:134 } XNO2+MO2=HCHO+HO2 : ARR2(1.7E-14, -220.0, TEMP);
221 {153:135 } XNO2+ACO3=MO2 : ARR2(4.2E-14, -220.0, TEMP);
222 {154:136 } XNO2+XNO2=H2O : ARR2(3.6E-16, -220.0, TEMP);
223 {155:138 } MO2+OLN=1.75 HCHO+.5 HO2
224 +ALD+NO2 : ARR2(1.7E-14, -220.0, TEMP);
225 {156:139 } ACO3+OLN=HCHO+ALD+0.50 ORA2
226 +NO2+0.50 MO2 : ARR2(4.2E-14, -220.0, TEMP);
227 {157:140 } OLN+OLN=2.00 HCHO+2.00 ALD
228 +2.00 NO2 : ARR2(3.6E-16, -220.0, TEMP);