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1 #EQUATIONS {CBMZ_BB}
2 {001:J01} NO2 + hv = NO + O3P : j(Pj_no2) ;
3 {002:J02} NO3 + hv = .89 NO2 + .89 O3P + .11 NO : j(Pj_no3o) ;
4 {003:J03} HONO + hv = OH + NO : j(Pj_hno2) ;
5 {004:J04} HNO3 + hv = OH + NO2 : j(Pj_hno3) ;
6 {005:J05} HNO4 + hv = HO2 + NO2 : j(Pj_hno4) ;
7 {006:J06} N2O5 + hv = NO2 + NO3 : j(Pj_n2o5) ;
8 {007:J07} O3 + hv = O3P : j(Pj_o33p) ;
9 {008:J08} O3 + hv = O1D : j(Pj_o31d) ;
10 {009:J09} H2O2 + hv = 2 OH : j(Pj_h2o2) ;
11 {010:J10} HCHO + hv = 2 HO2 + CO : j(Pj_ch2or) ;
12 {011:J11} HCHO + hv = CO : j(Pj_ch2om) ;
13 {012:J12} CH3OOH + hv = HCHO + HO2 + OH : 0.7 * j(Pj_h2o2) ;
14 {013:J13} ETHOOH + hv = ALD2 + HO2 + OH : 0.7 * j(Pj_h2o2) ;
15 {014:J14} ALD2 + hv = CH3O2 + HO2 + CO : 4.6D-4 * j(Pj_no2);
16 {015:J15} AONE + hv = C2O3 + CH3O2 : 7.8D-5 * j(Pj_no2) ;
17 {016:J16} MGLY + hv = C2O3 + CO + HO2 : 9.64 * j(Pj_ch2or);
18 {017:J17} OPEN + hv = C2O3 + CO + HO2 : 9.04 * j(Pj_ch2or) ;
19 {018:J18} ROOH + hv = OH + 0.4 XO2 + 0.74 AONE +
20 0.3 ALD2 + 0.1 ETHP + 0.9 HO2 + 1.98 XPAR : 0.7 * j(Pj_h2o2) ;
21 {019:J19} ONIT + hv = NO2 + 0.41 XO2 + 0.74 AONE +
22 0.3 ALD2 + 0.1 ETHP + 0.9 HO2+ 1.98 XPAR : 1.0D-4 * j(Pj_no2) ;
23 {020:J20} ISOPRD + hv = 0.97 C2O3 + 0.33 HO2 +
24 0.33 CO + 0.7 CH3O2 + 0.2 HCHO +
25 0.07 ALD2 + 0.03 AONE : 0.025 * j(Pj_ch2om) ;
26 {021:001} O1D+M=O3P : .79* ARR3(1.8D-11, -110.0_dp, TEMP) + .21* ARR3(3.2D-11, -70.0_dp, TEMP);
27 {022:002} O1D+H2O = 2 OH : 2.2D-10 ;
28 {023:003} O3P+M{+O2} = O3 : .21*ARR3MS(6.0D-34,2.3_dp,TEMP,C_M) ;
29 {024:004} O3P + O3 =0.42M {2O2} : ARR3(8.0D-12, 2060._dp, TEMP) ;
30 {025:005} O3P + NO2 = NO : ARR3(6.5D-12, -120._dp, TEMP) ;
31 {026:006} O3P + NO2 = NO3 : TROEMS(9.0D-32, -2.0_dp, 2.2D-11, 0.0_dp, TEMP, C_M) ;
32 {027:007} O3P + NO = NO2 : TROEMS(9.0D-32, -1.5_dp, 3.0D-11, 0.0_dp, TEMP, C_M) ;
33 {028:008} O3 + NO = NO2 : ARR3(2.0D-12, 1400._dp, TEMP) ;
34 {029:009} O3 + NO2 = NO3 : ARR3(1.2D-13, 2450._dp, TEMP) ;
35 {030:010} O3 + OH = HO2 : ARR3(1.6D-12, 940._dp, TEMP) ;
36 {031:011} O3 + HO2 = OH : ARR3(1.1D-14, 500._dp, TEMP) ;
37 {032:012} OH+M = HO2+H2O : 5.8D-7*ARR3(5.5D-12, 2000._dp, TEMP) ;
38 {033:013} OH + NO = HONO : TROEMS(7.0D-31 ,-2.6_dp, 3.6D-11, -0.1_dp, TEMP, C_M) ;
39 {034:014} OH + NO2 = HNO3 : TROEMS(2.5D-30 ,-4.4_dp, 1.6D-11, -1.7_dp, TEMP, C_M) ;
40 {035:015} OH + NO3 = HO2 + NO2 : 2.2D-11 ;
41 {036:016} OH + HONO = NO2 : ARR3(1.8D-11, 390._dp, TEMP) ;
42 {037:017} OH + HNO3 = NO3 : RK_HO_HNO3(TEMP, C_M) ;
43 {038:018} OH + HNO4 = NO2 : ARR3(1.3D-12, -380._dp, TEMP);
44 {039:019} OH + HO2 = H2O +0.21M : ARR3(4.8D-11, -250._dp, TEMP) ;
45 {040:020} OH + H2O2 = HO2 : ARR3(2.9D-12, 160._dp, TEMP) ;
46 {041:021} HO2 + HO2 = H2O2 : RK_2HO2(TEMP, C_M) ;
47 {042:022} HO2 + HO2 + H2O = H2O2 : RK_2HO2_H2O(TEMP, C_M) ;
48 {043:023} HO2 + NO = OH + NO2 : ARR3(3.5D-12, -250._dp, TEMP) ;
49 {044:024} HO2 + NO2 = HNO4 : TROEMS(1.8D-31, -3.2_dp, 4.7D-12, -1.4_dp, TEMP, C_M) ;
50 {045:025} HO2 + NO2 = HONO : 5.0D-16 ;
51 {046:026} HNO4 = HO2 + NO2 : TROEEMS(4.8D+26, 10900._dp, 1.8D-31, -3.2_dp, 4.7D-12, -1.4_dp, TEMP, C_M) ;
52 {047:027} NO3 + NO = NO2 + NO2 : ARR3(1.5D-11, -170._dp, TEMP) ;
53 {048:028} NO3 + NO2 = NO + NO2 : ARR3(4.5D-14, 1260._dp, TEMP) ;
54 {049:029} NO3 + NO2 = N2O5 : TROEMS(2.2D-30, -3.9_dp, 1.5D-12, -0.7_dp, TEMP, C_M) ;
55 {050:030} NO3 + NO3 = 2.0 NO2 : ARR3(8.5D-13, 2450._dp, TEMP) ;
56 {051:031} NO3 + HO2 = 0.3 HNO3 + .7 NO2 + .7 OH : 3.5D-12 ;
57 {052:032} N2O5+H2O = 2.0 HNO3 : 2.0D-21 ;
58 {053:033} N2O5 = NO3 + NO2 : TROEEMS(3.7D+26, 11000._dp, 2.2D-30, -3.9_dp, 1.5D-12, -0.7_dp, TEMP, C_M) ;
59 {054:034} CO + OH = HO2 : RK_CO_HO(TEMP, C_M) ;
60 {055:035} SO2 + OH = H2SO4 + HO2 : TROEMS(3.0D-31, -3.3_dp, 1.5D-12, 0.0_dp, TEMP, C_M) ;
61 {056:036} OH+CH4 = CH3O2 : TEMP**0.667 * ARR3(2.8D-14, 1575._dp, TEMP) ;
62 {057:037} C2H6 + OH = ETHP : TEMP**2 * ARR3(1.5D-17, 492._dp, TEMP) ;
63 {058:038} PAR + OH = RO2 : 8.1D-13 ;
64 {059:039} HCHO + OH = HO2 + CO : 1.0D-11 ;
65 {060:040} HCHO + NO3 = HNO3 + HO2 + CO : ARR3(3.4D-13, 1900._dp, TEMP) ;
66 {061:041} ALD2 + OH = C2O3 : ARR3(5.6D-12, -270._dp, TEMP) ;
67 {062:042} ALD2 + NO3 = C2O3 + HNO3 : ARR3(1.4D-12, 1900._dp, TEMP) ;
68 {063:043} AONE + OH = ANO2 : TEMP**2 * ARR3(5.3D-18, 230._dp, TEMP) ;
69 {064:044} MGLY + OH = XO2 + C2O3 : 1.7D-11 ;
70 {065:045} MGLY + NO3 = HNO3 + C2O3 + CO : ARR3(1.4D-12, 1900._dp, TEMP) ;
71 {066:046} C2H4 + O3 = HCHO + .22 HO2 + .12 OH +
72 .24 CO {+ .24CO2} + .52 HCOOH : ARR3(1.2D-14, 2630._dp, TEMP) ;
73 {067:047} C2H4 + OH = XO2 + 1.56 HCHO + HO2 + .22 ALD2 : TROEMS(1.0D-28, -0.8_dp, 8.8D-12, 0.0_dp, TEMP, C_M) ;
74 {068:048} OLET + O3 = .57 HCHO + .47 ALD2 +
75 .33 OH + .26 HO2 {+ .08H2}+
76 .07 CH3O2 + .06 ETHP +
77 .03 RO2 + .13 C2O3 +
78 .04 MGLY + .03 CH3OH +
79 .06CH4 + .01C2H6 +
80 .31 CO {+ .22 CO2} +
81 .22 HCOOH + .09RCOOH +1.06 XPAR : ARR3(4.2D-15, 1800._dp, TEMP) ;
82 {069:049} OLEI + O3 = 1.03 ALD2 +.07 AONE +
83 .6 OH + .22 HO2 +
84 .1 CH3O2 + .05 ETHP +
85 .09 RO2 + .11 ANO2 +
86 .19 C2O3 + .07 MGLY +
87 .04 CH3OH + .08 CH4 + .01C2H6 + .3 CO {+
88 .18CO2} + .16 RCOOH + 2.26 XPAR : ARR3(8.9D-16, 392._dp, TEMP) ;
89 {070:050} OLET + OH = XO2 + HO2 + HCHO + ALD2 + XPAR : ARR3(5.8D-12, -478._dp, TEMP) ;
90 {071:051} OLEI + OH = XO2 + HO2 + .23 AONE +
91 1.77 ALD2 + 2.23 XPAR : ARR3(2.9D-11, -255._dp, TEMP) ;
92 {072:052} OLET + NO3 = NAP : ARR3(3.1D-13, 1010._dp, TEMP) ;
93 {073:053} OLEI + NO3 = NAP : 2.5D-12;
94 {074:054} TOL + OH = .08 XO2 + .12 CRES +
95 .2 HO2 + .8 TO2 : ARR3(2.1D-12, -322._dp, TEMP) ;
96 {075:055} XYL + OH = .5 XO2 + .55 HO2 +
97 .05 CRES + .8 MGLY +
98 1.1 PAR + .45 TO2 : ARR3(1.7D-11, -116._dp, TEMP) ;
99 {076:056} TO2 + NO = .95 NO2 + .95 OPEN +
100 .95 HO2 + .05 ONIT : 8.1D-12 ;
101 {077:057} CRES + OH = .4 CRO + .6 XO2 +
102 .6 HO2 + .3 OPEN : 4.1D-11 ;
103 {078:058} CRES + NO3 = CRO + HNO3 : 2.2D-11 ;
104 {079:059} CRO + NO2 = ONIT : 1.4D-11;
105 {080:060} OPEN + OH = XO2 + C2O3 + 2 CO +
106 2 HO2 + HCHO : 3.0D-11 ;
107 {081:061} OPEN + O3 = .03 ALD2 + .62 C2O3 +
108 .7 HCHO + .69 CO +
109 .08 OH + .03 XO2 +
110 .76 HO2 + .2 MGLY : ARR3(5.4D-17, 500._dp, TEMP);
111 {082:062} ISOP + OH = ISOPP + .08 XO2 : ARR3(2.6D-11, -409._dp, TEMP);
112 {083:063} ISOP + O3 = .6 HCHO + .65 ISOPRD +
113 .27 OH + .07 CO + .39 RCOOH +
114 .07 HO2 + .15 ALD2 +
115 .2 XO2 + .2 C2O3 : ARR3(1.2D-14, 2013._dp, TEMP) ;
116 {084:064} ISOP + NO3 = ISOPN : ARR3(3.0D-12, 446._dp, TEMP) ;
117 {085:065} ISOPRD + OH = .5 C2O3 + .5 ISOPO2 + .2 XO2 : 3.3D-11 ;
118 {086:066} ISOPRD + O3 = .27 OH + .1 HO2 +
119 .11 C2O3 + .07 XO2 +
120 .05 CH3O2 + .16 CO +
121 .15 HCHO + .02 ALD2 +
122 .09 AONE + .85 MGLY +
123 .46 RCOOH : 7.0D-18 ;
124 {087:067} ISOPRD + NO3 = .07 C2O3 + .07 HNO3 +
125 .64 CO + .28 HCHO +
126 .93 ONIT + .28 ALD2 +
127 .93 HO2 + .93 XO2 +
128 1.86 PAR : 1.0D-15 ;
129 {088:068} ISOPP + NO = .09 ONIT + .91 NO2 +
130 .91 HO2 + .63 HCHO +
131 .91 ISOPRD + 0.18 PAR : 4.0D-12 ;
132 {089:069} ISOPN + NO = 1.2 NO2 + .8 ONIT +
133 .8 ALD2 + .8 HO2 +
134 .2 ISOPRD + 1.6 PAR : 4.0D-12 ;
135 {090:070} ISOPO2 + NO = NO2 + HO2 + .59 CO +
136 .55 ALD2 + .25 HCHO +
137 .34 MGLY + .63 AONE : 4.0D-12;
138 {091:071} ISOPP + HO2 = ROOH : ARR3(1.7D-13, -1300._dp, TEMP) ;
139 {092:072} ISOPN + HO2 = ONIT + 2 PAR : ARR3(1.7D-13, -1300._dp, TEMP) ;
140 {093:073} ISOPO2 + HO2 = ROOH : ARR3(1.7D-13, -1300._dp, TEMP) ;
141 {094:074} CH3OOH + OH = .7 CH3O2 + .3 HCHO + .3 OH : ARR3(3.8D-12, -200._dp, TEMP) ;
142 {095:075} ETHOOH + OH = .7 ETHP + .3 ALD2 + .3 OH : ARR3(3.8D-12, -200._dp, TEMP) ;
143 {096:076} ROOH + OH = .77 RO2 + .19 MGLY +
144 .04 ALD2 + .23 OH + .42 XPAR : ARR3(3.8D-12, -200._dp, TEMP) ;
145 {097:077} ONIT + OH = NAP : ARR3(1.6D-11, 540._dp, TEMP) ;
146 {098:078} C2O3 + NO2 = PAN : TROEMS(9.7D-29, -5.6_dp, 9.3D-12, -1.5_dp, TEMP, C_M) ;
147 {099:079} PAN = C2O3 + NO2 : TROEEMS(1.1D+28, 14000._dp, 9.7D-29, -5.6_dp, 9.3D-12, -1.5_dp, TEMP, C_M) ;
148 {100:080} CH3OH + OH = HCHO + HO2 : ARR3(6.7D-12, 600._dp, TEMP) ;
149 {101:081} CH3O2 + NO = HCHO + HO2 + NO2 : ARR3(3.0D-12, -280._dp, TEMP) ;
150 {102:082} ETHP + NO = ALD2 + HO2 + NO2 : ARR3(2.6D-12, -365._dp, TEMP) ;
151 {103:083} RO2 + NO = .16 ONIT + .84 NO2 +
152 .34 XO2 + .62 AONE +
153 .25 ALD2 + .08 ETHP +
154 .76 HO2 + 1.68 XPAR : 4.0D-12 ;
155 {104:084} C2O3 + NO = NO2 + CH3O2 {+CO2} : ARR3(5.3D-12, -360._dp, TEMP) ;
156 {105:085} ANO2 + NO = NO2 + C2O3 + HCHO : 4.0D-12 ;
157 {106:086} NAP + NO = 1.5 NO2 + .5 HCHO +
158 .5 ALD2 + .5 ONIT +
159 .5 HO2 + XPAR : 4.0D-12 ;
160 {107:087} XO2 + NO = NO2 : 4.0D-12 ;
162 {108:088} CH3O2 + NO3 = HCHO + HO2 + NO2 : 1.1D-12 ;
163 {109:089} ETHP + NO3 = ALD2 + HO2 + NO2 : 2.5D-12 ;
164 {110:090} RO2 + NO3 = NO2 + .4 XO2 +
165 .74 AONE + .3 ALD2 +
166 .1 ETHP + .9 HO2 + 1.98 XPAR : 2.5D-12 ;
167 {111:091} C2O3 + NO3 = NO2 + CH3O2 : 4.0D-12 ;
168 {112:092} ANO2 + NO3 = NO2 + C2O3 + HCHO : 1.2D-12;
169 {113:093} NAP + NO3 = 1.5 NO2 + .5 HCHO +
170 .5 ALD2 + .5 ONIT +
171 .5 HO2 + XPAR : 4.0D-12 ;
172 {114:094} XO2 + NO3 = NO2 : 2.5D-12 ;
173 {115:095} CH3O2 + HO2 = CH3OOH : ARR3(3.8D-13, -800._dp, TEMP) ;
174 {116:096} ETHP + HO2 = ETHOOH : ARR3(7.5D-13, -700._dp, TEMP) ;
175 {117:097} RO2 + HO2 = ROOH : ARR3(1.7D-13, -1300._dp, TEMP) ;
176 {118:098} C2O3 + HO2 = .4 RCOOH + .4 O3 : ARR3(4.5D-13, -1000._dp, TEMP) ;
177 {119:099} ANO2 + HO2 = ROOH : ARR3(1.2D-13, -1300._dp, TEMP) ;
178 {120:100} NAP + HO2 = ONIT : ARR3(1.7D-13, -1300._dp, TEMP) ;
179 {121:101} XO2 + HO2 = PROD : ARR3(1.7D-13, -1300._dp, TEMP) ;
181 {122:102} ANOL + OH = ALD2 + HO2 : ARR3(7.0D-12, 235._dp, TEMP) ;
182 {123:103} PAR + XPAR = PROD : 1.0D-11 ;
183 {124:104} HCl = HCl : 1.0 ;
184 {125:105} NH3 = NH3 : 1.0 ;
185 {126:106} H2SO4 = H2SO4 : 1.0 ;
186 {127:107} CH3O2 = .66 HCHO + .32 HO2 + .34 CH3OH : peroxy(1,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
187 {128:108} ETHP = .8 ALD2 + .6 HO2 + .2 C2H6 : peroxy(2,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
188 {129:109} RO2 = .24 XO2 + .21 ALD2 +
189 .57 AONE + .06 ETHP +
190 .54 HO2 + 1.25 XPAR : peroxy(3,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
192 {130:110} C2O3 = CH3O2 : peroxy(4,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
193 {131:111} ANO2 = .7 C2O3 + .7 HCHO +
194 .15 MGLY + .15 AONE : peroxy(5,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
195 {132:112} NAP = .5 NO2 + .5 HCHO + .5 ALD2 + .5 ONIT +
196 XPAR : peroxy(6,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
197 {133:113} ISOPP = ISOPRD : peroxy(7,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
198 {134:114} ISOPN = ALD2 + ONIT + 2 PAR : peroxy(8,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
199 {135:115} ISOPO2 = .5 ALD2 + .5 AONE : peroxy(9,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;
201 {136:116} XO2 = PROD : peroxy(10,CH3O2,ETHP,RO2,C2O3,ANO2,NAP,ISOPP,ISOPN,ISOPO2,XO2,TEMP,C_M) ;