| blob | 7db973147537b444ca8e0a54868f1bd709f6cc51 |
1 #EQUATIONS
3 {----NEXT KR APPROXIMATED BY ADRIAN---}
4 {1} NO2 + hv = NO + O3 : 1.765E-2*SUN ;
5 {2} NO + O3 = NO2 + O2 : ARR2(2.2E-12,-1430.0) ;
6 {3} NO2 + O3 = NO3 + O2 : ARR2(1.2E-13,-2450.0) ;
7 {4} NO + NO3 = 2NO2 : ARR2(1.7E-11,150.0) ;
8 {----NEXT KR CORRECTED FROM LILING'S STEM----}
9 {5} NO2 + NO3 = N2O5 : 1.45E-12 ;
10 {----NEXT KR CORRECTED FROM LILING'S STEM----}
11 {6} N2O5 = NO2 + NO3 : 5.00E-6 ;
12 {7} NO2 + NO3 = NO + NO2 + O2 : ARR2(2.5E-14,-1230.0) ;
13 {8} NO3 + hv = 0.15NO + 0.85NO2 + 0.85O3 + O2 : 3.29*RCONST(1) ;
14 {9} NO3 + HO2 = HNO3 + O2 : 2.50E-12 ;
15 {---- NEXT KR APPROXIMATED BY ADRIAN ----}
16 {10} O3 + hv = 2OH : 1.5796E-7*SUN ;
17 {----NEXT KR CORRECTED FROM LILING'S STEM----}
18 {11} NO + OH = HONO : 7.218E-12 ;
19 {12} HONO + hv = NO + OH : 0.205*RCONST(1) ;
20 {----NEXT KR CORRECTED FROM LILING'S STEM----}
21 {13} NO2 + OH = HNO3 : 1.2794E-11 ;
22 {---- NEXT KR APPROXIMATED BY ADRIAN ----}
23 {14} HNO3 + hv = NO2 + OH : 7.8E-7*SUN ;
24 {15} HNO3 + OH = NO3 + H2O : ARR2(9.4E-15,778.0) ;
25 {16} N2O5 + H2O = 2HNO3 : 1.30E-21 ;
26 {----NEXT KR CORRECTED FROM LILING'S STEM----}
27 {17} CO + OH = HO2 + CO2 : 1.7823E-13 ;
28 {18} O3 + OH = HO2 + O2 : ARR2(1.6E-12,-1000.0) ;
29 {19} NO + HO2 = NO2 + OH : ARR2(3.7E-12,240.0) ;
30 {----NEXT KR CORRECTED FROM LILING'S STEM----}
31 {20} NO2 + HO2 = HNO4 : 1.7851E-12 ;
32 {----NEXT KR CORRECTED FROM LILING'S STEM----}
33 {21} HNO4 = NO2 + HO2 : 6.8868E-6 ;
34 {22} O3 + HO2 = OH + 2O2 : ARR2(1.4E-14,-600.0) ;
35 {----NEXT KR CORRECTED FROM LILING'S STEM----}
36 {23} HO2 + HO2 = H2O2 + O2 : 4.7165E-12 ;
37 {---- NEXT KR APPROXIMATED BY ADRIAN---- }
38 {24} H2O2 + hv = 2OH : 1.366E-5*SUN ;
39 {25} H2O2 + OH = HO2 + H2O : ARR2(3.3E-12,-200.0) ;
40 {26} NO2 + H2O = HONO + HNO3 - NO2 : 4.00E-24 ;
41 {27} HNO4 + hv = NO2 + HO2 : 1E-4*RCONST(1) ;
42 {28} HNO4 + OH = NO2 + H2O + O2 : ARR2(1.3E-12,380.0) ;
43 {----NEXT KR CORRECTED FROM LILING'S STEM----}
44 {29} SO2 + OH = SO4 + HO2 : 1.E-20 ;
45 { NEXT KR APPROXIMATED BY ADRIAN }
46 {30} HCHO + hv = 2HO2 + CO : 2.7E-5*SUN ;
47 {---- NEXT KR APPROXIMATED BY ADRIAN ----}
48 {31} HCHO + hv = CO + H2 : 1.1182E-4*SUN ;
49 {32} HCHO + OH = HO2 + CO + H2O : 1.00E-11 ;
50 {33} HCHO + HO2 = AHO2 : 1.00E-14 ;
51 {34} AHO2 + NO = ACO2 + HO2 + NO2 : ARR2(4.2E-12,180.0) ;
52 {35} AHO2 + HO2 = ACO2 + H2O + O2 : 2.00E-12 ;
53 {36} 2AHO2 = ACO2 + 2HO2 + 2O2 : 1.00E-13 ;
54 {37} ACO2 + OH = HO2 + H2O + CO2 : 3.20E-13 ;
55 {38} NO3 + HCHO = HNO3 + HO2 +CO : 6.00E-16 ;
56 {39} ALD2 + OH = MCO3 + H2O : ARR2(6.9E-12,250.0) ;
57 {40} ALD2 + NO3 = HNO3 + MCO3 : 2.70E-15 ;
58 {---- NEXT KR APPROXIMATED BY ADRIAN ----}
59 {41} ALD2 + hv = MO2 + HO2 + CO : 4.556E-6*SUN ;
60 {---- NEXT KR APPROXIMATED BY ADRIAN ----}
61 {42} ALD2 + hv = CH4 + CO : 1.118E-4*SUN ;
62 {43} MCO3 + NO2 = PAN : 4.70E-12 ;
63 {44} PAN = MCO3 + NO2 : ARR2(2.2E16,-13435.0) ;
64 {45} MCO3 + NO = MO2 + NO2 + CO2 : ARR2(4.2E-12,180.0) ;
65 {46} MO2 + NO = HCHO + NO2 + HO2 : ARR2(4.2E-12,180.0);
66 {47} CH4 + OH = MO2 + H2O : ARR2(2.4E-12,1710.0) ;
67 {48} C2H6 + OH = ETO2 + H2O : ARR2(1.7E-11,-1232.0) ;
68 {49} ETO2 + NO = ALD2 + HO2 + NO2 : ARR2(4.2E-12,180.0) ;
69 {50} C3H8 + OH = R3O2 : ARR2(1.18E-11,-679.0) ;
70 {51} R3O2 + NO = 0.03R3N2 + 0.46ALD2 + 0.97NO2 +
71 0.97HO2 + 0.49KET : ARR2(4.2E-12,180.0) ;
72 {52} ALKA + OH = RAO2 : ARR2(2E-11,-500.0) ;
73 {---- IN THE NEXT REACTION
74 BETA 1...9 WHERE REPLACED BY NUMBERS,
75 AS READ FROM LILING STEM CODE ----}
76 {53} RAO2 + NO = 0.9261NO2 - 0.1892NO + 0.263RAN2 +
77 1.0482ALD2 + 0.3KET +
78 0.1879ETO2 + 0.1116MO2 +
79 0.28HO2 + 0.1057R3O2 + 0.06RAO2 : ARR2(4.2E-12,180.0) ;
80 {54} ALKA + NO3 = HNO3 + RAO2 : 4.00E-17 ;
81 {55} RAN2 + OH = RAN1 + H2O : 2.00E-12 ;
82 {56} RAN1 + NO = 2.5NO2 - 0.5NO + 0.8HCHO + 2.1ALD2 :ARR2(4.2E-12,180.0) ;
83 {57} MO2 + MO2 = 1.4HCHO + 0.8HO2 + O2 : ARR2(1.5E-13,220.0) ;
84 {58} 2ETO2 = 1.6ALD2 + 1.2HO2 : 5.00E-14 ;
85 {59} R3O2 + R3O2 = 1.9ALD2 + 0.28KET + 0.37HO2 : 5.00E-14 ;
86 {60} HO2 + MO2 = ROOH + O2 : 3.00E-12 ;
87 {61} HO2 + ETO2 = ROOH + O2 : 3.00E-12 ;
88 {62} HO2 + R3O2 = ROOH + O2 : 3.00E-12 ;
89 {63} HO2 + RAO2 = ROOH + O2 : 3.00E-12 ;
90 {64} HO2 + MCO3 = ROOH + O2 : 3.00E-12 ;
91 {65} KET + OH = KO2 : ARR2(1.2E-11,-890.0) ;
92 {66} KO2 + NO = 0.05RAN2 + 0.95NO2 + 0.94ALD2 +
93 0.94MCO3 : ARR2(4.2E-12,180.0) ;
94 {67} KET + hv = MCO3 + ETO2 + H2O : 2.6E-4*RCONST(1) ;
95 {68} KET + NO3 = HNO3 + KO2 : 7.00E-16 ;
96 {69} KO2 + HO2 = MGLY + MO2 + H2O : 3.00E-12 ;
97 {70} ETHE + OH = EO2 : ARR2(1.66E-12,474.0) ;
98 {71} EO2 + NO = NO2 + 2.0HCHO + HO2 : ARR2(4.2E-12,180.0) ;
99 {72} ALKE + OH = PO2 : ARR2(4.1E-12,537.0) ;
100 {73} PO2 + NO = NO2 + ALD2 + HCHO + HO2 : ARR2(4.2E-12,180.0) ;
101 {74} ETHE + O3 = HCHO + 0.4CHO2 + 0.12HO2 + 0.42CO +
102 0.06CH4 : ARR2(1.2E-14,-2633.0) ;
103 {75} ALKE + O3 = 0.525HCHO + 0.5ALD2 + 0.2CHO2 +
104 0.2CRO2 + 0.23HO2 + 0.215MO2 : ARR2(7.8E-14,-2105.0) ;
105 {76} CHO2 + NO = HCHO + NO2 : 7.00E-12 ;
106 {77} CHO2 + NO2 = HCHO+ NO3 : 7.00E-13 ;
107 {78} CHO2 + H2O = ACO2 : 4.00E-18 ;
108 {79} CRO2 + NO = ALD2 + NO2 : 7.00E-12 ;
109 {80} CRO2 + NO2 = ALD2 + NO3 : 7.00E-13 ;
110 {81} CRO2 + H2O = ACTA : 4.00E-18 ;
111 {82} EO2 + EO2 = 2.4HCHO + 1.2HO2 + 0.4ALD2 : 5.00E-14 ;
112 {83} PO2 + PO2 = 2.2ALD2 + 1.2HO2 : 5.00E-14 ;
113 {84} HO2 + EO2 = ROOH + O2 : 3.00E-12 ;
114 {85} HO2 + PO2 = ROOH + O2 : 3.00E-12 ;
115 {86} SO2 + CHO2 = SO4 + HCHO : 7.00E-14 ;
116 {87} SO2 + CRO2 = SO4 + ALD2 : 7.00E-14 ;
117 {88} ALKE + NO3 = PRN1 : 1.26E-13 ;
118 {89} PRN1 + NO2 = PRN2 : 6.80E-12 ;
119 {90} PRN1 + HO2 = PRPN + O2 : 3.00E-12 ;
120 {91} PRN1 + NO = 2NO2 + HCHO + ALD2 : ARR2(4.2E-12,180.0) ;
121 {92} CHO2 + HCHO = OZID : 1.36E-14 ;
122 {93} CHO2 + ALD2 = OZID : 1.36E-14 ;
123 {94} CRO2 + HCHO = OZID : 1.36E-14 ;
124 {95} CRO2 + ALD2 = OZID : 1.36E-14 ;
125 {96} AROM + OH = 0.84TO2 + 0.16CRES + 0.16HO2 : 1.52E-11 ;
126 {97} TO2 + NO = NO2 + HO2 + 0.72MGLY + 0.18GLYX + DIAL : ARR2(4.2E-12,180.0) ;
127 {98} GLYX + hv = PROD : 8.0E-3*RCONST(1) ;
128 {99} GLYX + OH = HO2 + 2CO + H2O : 1.15E-11 ;
129 {100} MGLY + hv = MCO3 + HO2 + CO : 1.9E-2*RCONST(1) ;
130 {101} MGLY + OH = MCO3 + CO + H2O : 1.73E-11 ;
131 {---- IN THE NEXT REACTION
132 BETA 12, 13 WHERE REPLACED BY NUMBERS
133 AS GIVEN IN LILING'S STEM CODE ----}
134 {102} CRES + OH = 0.83HO2 + 0.9ZO2 + 0.9TCO3
135 -0.9OH - 0.0315NO2 : 4.25E-11 ;
136 {103} NO3 + CRES = HNO3 : 1.00E-11 ;
137 {104} OH + DIAL = TCO3 : 2.80E-11 ;
138 {105} TCO3 + NO2 = TPAN : 4.70E-12 ;
139 {106} TPAN = TCO3 + NO2: ARR2(2.2E16,-13435.0) ;
140 {107} TCO3 + NO = NO2 + 0.92HO2 + 0.89GLYX + 0.11MGLY +
141 0.05MCO3 : ARR2(4.2E-12,180.0) ;
142 {108} ZO2 + NO = NO2 : ARR2(4.2E-12,180.0) ;
143 {109} DIAL + hv = 0.98HO2 + 0.02MCO3 + TCO3 : 1E-2*RCONST(1) ;
144 {110} HO2 + TO2 = ROOH + O2 : 4.00E-12 ;
145 {111} HO2 + TCO3 = ROOH + O2 : 4.00E-12 ;
146 {112} HO2 + ZO2 = ROOH + O2 : 1.00E-12 ;
147 {---- HERE COMES AEROSOL PART ----}
148 {113} AHO2 = HCHO + HO2 : 1.5*1. ;
149 {114} ISOP + OH = RIO2 : ARR2(2.5E-11,409.0) ;
150 {115} RIO2 + NO = 0.9NO2 + 0.45MVK + 0.45MACR +
151 0.9HO2 + 0.9HCHO : ARR2(4.2E-12,180.0) ;
152 {116} RIO2 + HO2 = ROOH : 3.00E-12 ;
153 {117} MVK + OH = VRO2 : ARR2(3.0E-12,500.0) ;
154 {118} VRO2 + NO = 0.9NO2 + 0.6MCO3 + 0.6HAC +
155 0.3HO2 + 0.3HCHO + 0.3MGGY : ARR2(4.2E-12,180.0) ;
156 {119} VRO2 + HO2 = ROOH : 3.0E-12 ;
157 {120} OH + MACR = MAO3 : 1.02E-11 ;
158 {121} MAO3 + NO2 = MPAN : 4.7E-12 ;
159 {122} MPAN = MAO3 + NO2 : ARR2(2.2E+16,-13435.0) ;
160 {123} MAO3 + NO = 3NO3 - 2NO + HO2 + MGGY : ARR2(4.2E-12,180.0) ;
161 {124} MAO3 + HO2 = ROOH : 3.00E-12 ;
162 {125} MACR + OH = MRO2 : ARR2(3.86E-12,500.0) ;
163 {126} MRO2 + NO = 0.9NO2 + 0.9HO2 +
164 0.9HCHO + 0.9MGGY : ARR2(4.2E-12,180.0) ;
165 {127} MRO2 + HO2 = ROOH : 3.00E-12 ;
166 {128} HAC + OH = HACO : 1.5E-11 ;
167 {129} HACO + NO2 = IPAN : 4.7E-12 ;
168 {130} IPAN = HACO + NO2 : ARR2(2.2E+16,-13435.0) ;
169 {131} HACO + NO = NO2 + HO2 + HCHO : ARR2(4.2E-12,180.0) ;
170 {132} HACO + HO2 = ROOH : 3.00E-12 ;
171 {133} ISOP + O3 = 0.5HCHO + 0.2MVK + 0.3MACR + 0.2CHO2 +
172 0.06HO2 + 0.2MVKO + 0.3MAOO : ARR2(7.0E-15,-1900.0) ;
173 {134} MVK + O3 = 0.5HCHO + 0.2CHO2 + 0.21HO2 + 0.2MCRG +
174 0.15ALD2 + 0.5MGGY + 0.15MCO3 : ARR2(4.0E-15,-2000.0) ;
175 {135} MACR + O3 = 0.65HCHO + 0.2CHO2 + 0.36HO2 +
176 0.15NO2 - 0.15NO + 0.5MGGY + 0.2MCRG : ARR2(4.4E-15,-2500.0) ;
177 {136} MVKO + NO = MVK + NO2 : ARR2(4.2E-12,180.0) ;
178 {137} MVKO + NO2 = MVK + NO3 : ARR2(4.2E-13,180.0) ;
179 {138} MVKO + H2O = PROD : 3.4E-18 ;
180 {139} MAOO + NO = MACR + NO2 : ARR2(4.2E-12,180.0) ;
181 {140} MAOO + NO2 = MACR + NO3 : ARR2(4.2E-13,180.0) ;
182 {141} MAOO + H2O = MACA : 3.4E-18 ;
183 {142} MCRG + NO = MGGY + NO2 : ARR2(4.2E-12,180.0) ;
184 {143} MCRG + NO2 = MGGY + NO3 : ARR2(4.2E-13,180.0) ;
185 {144} MCRG + H2O = PYVA : 3.4E-18 ;
186 {145} HAC + hv = HCHO + 2HO2 : 5E-4*RCONST(1) ;
187 {146} MGGY + hv = MCO3 + HO2 : 0.15*RCONST(1) ;
188 {147} MGGY + OH = MCO3 : 1.7E-11 ;
189 {148} ISOP + NO3 = INO2 : ARR2(3.00E-12,-450.0) ;
190 {149} INO2 + NO = 2NO2 + HCHO + 0.5MVK + 0.5MACR : ARR2(4.2E-12,180.0) ;
191 {150} INO2 + NO2 = PROD : ARR2(4.2E-13,180.0) ;
192 {151} INO2 + HO2 = PROD : 3.00E-12 ;
193 {152} MVK + NO3 = MVN2 : 6.00E-14 ;
194 {153} MVN2 + NO = 2NO2 + HCHO + 0.5MCO3 +
195 0.5MGGY + 0.5HO2 : ARR2(4.2E-12,180.0) ;
196 {154} MVN2 + HO2 = PROD : 3.0E-12 ;
197 {155} MACR + NO3 = MAO3 + HNO3 : 3.3E-15 ;
198 {156} MACR + NO3 = MAN2 : 6.7E-15 ;
199 {157} MAN2 + NO = 2NO2 + HCHO + MGGY : ARR2(4.2E-12,180.0) ;
200 {157} MAN2 + HO2 = PROD : 3.00E-12 ;
201 {159} HAC + NO3 = HNO3 + HACO : 5.2E-16 ;
202 {160} MAOO + HO2 = ROOH : 3.00E-12 ;
203 {161} MVKO + HO2 = ROOH : 3.00E-12 ;
204 {162} MVKO + SO2 = SO4 + MVK : 7.00E-14 ;
205 {163} MAOO + SO2 = SO4 + MACR : 7.00E-14 ;
206 {164} MCRG + SO2 = SO4 + MVK : 7.00E-14 ;
207 {165} MACA + OH = PROD : ARR2(1.2E-11,500.0) ;
208 {166} PYVA + OH = PROD : 5.00E-14 ;
209 {167} DOL6 + O3 = 0.11SUCA : 5.44E-17 ;
210 {168} DOL7 + O3 = 0.19GLUA : 3.46E-17 ;
211 {169} DOL8 + O3 = 0.15ADIA : 2.21E-17 ;
212 {170} CPET + O3 = 0.39GLUA : 1.03E-15 ;
213 {171} CHEX + O3 = 0.15ADIA : 2.16E-16 ;
214 {172} OH + HO2 = H2O + O2 : ARR2(4.6E-11,230.0) ;
215 {173} ROOH + hv = HCHO + OH + HO2 : 5.00E-4*RCONST(1) ;
216 {174} ROOH + OH = 0.5MO2 + 0.5OH + 0.5HCHO : 1.00E-11;
217 {175} DMS + OH = SO2 + MSA : 8.3E-12 ;
218 {176} NO3 + NO3 = 2NO2 + O2 : ARR2(8.5E-13,-2450.0) ;
219 {177} OH + PAN = PROD : ARR2(1.23E-12,-651.0) ;
220 {178} NO3 + HO2 = 0.6OH + 0.6NO2 + 0.4HNO3 : ARR2(2.3E-12,170.0) ;