Tables Of Reactions

Table B.1 Photoionization rates and products of atmospheric species, based on the quiet-Sun irradiance in the ultraviolet and visible spectral regions at the top of the atmosphere, for global mean conditions.

Photoionization

N2 ^ N(2D) + N+ + e NO ^ NO+ + e O ^ O+ + e N ^ N+ + e N(2D) ^ N+ + e He ^ He+ + e

Table B.2 Total photodissociation and photoionization rates of atmospheric species, based on the quiet-Sun irradiance in the ultraviolet and visible spectral regions at the top of the atmosphere, for global mean conditions.

Molecule

Region (nm)

3 (O

photodissociation

O2

100-242

3.7x10~6

O3

100-850

8.6x10~3

N2

80-103

5.9x 10~7

NO

181 & 191

4.1x10~6

NO2

200-425

1.7x10~2

NO3

500-670

1.8x10~1

N2O

175-240

1.1x10~6

N2O5

200-380

6.9x 10~4

CO2

105-200

7.7x 10~7

HO2

190-250

6.1x10~4

H2O

69-190

1.0x10~B

H2O2

190-350

1.2x10~4

HONO

300-400

2.7x 10~3

HNO3

190-350

1.4x10~4

HNO4

190-325

4.4x 10~4

NH3

100-230

1.9x 10~4

CH4

100-160

6.4x 10~6

CH3OOH

220-360

5.6x 10~B

CH2O

300-360

3.0x 10~4

CI2

260-470

5.4x 10~3

ClO

220-320

7.4x 10~3

ClO2

220-280

1.2x10~2

C1ONO2

196-432

7.3x 10~4

C1NO2

190-370

1.2x10~2

HCl

140-220

4.9x 10~6

HOCl

200-420

1.1x10~3

CH3Cl

186-216

5.5x 10~7

CCU

174-275

4.3x 10~B

photoionization

O2

8-102.8

6.4x 10~7

N2

8-79.6

4.7x 10~7

NO

121.6

7.2x 10~7

NO

8-102.6

1.0x10~6

O

8-91.0

3.2x 10~7

N

8-85.2

2.3x 10~7

He

8-50.4

1.0x10~7

Table B.3 Photodissociation rates and products of atmospheric species, based on the quiet-Sun irradiance in the ultraviolet and visible spectral regions at the top of the atmosphere, for global mean conditions.

Photolysis

3 (s"1)

02 2 O

3.7x10"

-6

O3 — O + O2

1.5x10"

3

O3 — O(XD) + O2

7.1x10"

3

NO — N + O

4.1x10"

-6

NO2 — NO + O

1.7x10"

2

NO3 — NO + O2

2.0x10"

2

NO3 — NO2 + O

1.6x10"

-1

N2O — N2 + O(XD)

1.1x10"

6

N2 — N(2D) + N

5.9x10"

-7

N2O5 — NO2 + NO3

4.8x10"

4

N2O5 — 2 NO2 + O

2.1x10"

4

CO2 — CO + O

2.7x10"

-8

CO2 — CO + O(XD)

7.5x10"

7

HO2 — OH + O

6.1x10"

4

H2O — O(XD) + H2

5.1x10"

7

H2O — 2 H + O

5.1x10"

7

H2O — H + OH

3.6x10"

6

H2O2 — 2 OH

1.2x10"

4

HONO — NO + OH

2.7x10"

3

HNO3 — NO2 + OH

1.4x10"

4

HNO4 — NO2 + HO2

4.4x10"

4

NH3 — NH2 + H

1.9x10"

4

CH4 — CH3 + H

3.8x10"

6

CH4 —► CH2 + H2

1.3x10"

6

CH4 — CH2 + 2 H

1.3x10"

6

CH3 OOH — CH3 + OH

5.6x10"

-5

CH2 O — HCO + H

1.5x10"

4

CH2 O — CO + H2

1.5x10"

4

Cl2 — 2 Cl

5.4x10"

3

ClO — Cl + O

6.5x10"

3

ClO — Cl + O(XD)

9.1x10"

4

ClO2 — ClO + O

7.6x10"

3

ClO2 — ClO + O(XD)

4.1x10"

3

ClONO2 — ClO + NO2

7.3x10"

4

ClNO2 — Cl + NO2

1.2x10"

2

HCl — H + Cl

4.9x10"

6

HOCl — Cl + OH

1.1x10"

3

CH3 Cl — CH3 + Cl

5.5x10"

7

CCL CCI3 + Cl

4.3x10"

5

Table B.4 Oxygen and nitrogen reactions. The bimolecular forward rate constant, kf, is given, or the termolecular low pressure rate constant, ko, the high-pressure rate constant, kand the parameter f. (Sources: JPL 2006, IUPAC 2006, NIST 2006)

Chemical reaction_kf or fcp, fcpo, /

O + O + M ^ O2 + M

5.21x10

—3bexp(900/T)

O + O2 + M ^ O3 + M

6.0x10-

34 (300/T )2-4

O(xD) + O2 ^ O + O2

3.3x10-

11 exp(55/T)

O(XD) + N2 ^ O + N2

1.8x 10-

11 exp(110/T)

O3 + O ^ 2 O2

8.0x 10-

12 exp(—2060/T)

O3 + O(!D) ^ 2 O2

1.2x 10-

10

O3 + O(!D) ^ O2 + 2 O

1.2x 10-

10

O3 + N ^ NO + O2

2.0x 10-

16

O3 + NO ^ NO2 + O2

3.0x 10-

12 exp(—1500/T)

O3 + NO2 ^ NO3 + O2

1.2x 10-

13 exp(—2450/T

O3 + OH ^ HO2 + O2

1.7x 10-

12 exp(—940/T)

O3 + HO2 ^ OH + 2 O2

1.0x 10-

14 exp(—490/T)

O3 + H ^ OH + O2

1.4x 10-

10 exp(—470/T)

N + O2 ^ NO + O

1.5x 10-

11 exp(—3600/T)

N + O + M ^ NO + M

5.46x10

-33 exp(156/T)

NO + O + M ^ NO2 + M

1.0x 10-

31 (300/T )1-6

3.0x 10-

11 (300/T)-0-3, 0.85

NO + N ^ N2 + O

2.1x 10-

11 exp(100/T)

NO2 + O ^ NO + O2

5.6x 10-

12 exp(180/T)

NO2 + O + M ^ NO3 + M

1.3x 10-

31 (300/T )1-5

2.3x 10-

11 (300/T)-0-24, 0.60

no2 + n ^ N2O + O

5.8x 10-

12 exp(221/T)

NO2 + H ^ NO + OH

4.0x 10-

10 exp(—340/T)

N2O + H ^ N2 + OH

9.22x10

-14 exp(—2988/T)

NO3 + O ^ O2 + NO2

1.0x 10-

11

NO3 + OH ^ HO2 + NO2

2.2x 10-

11

NO3 + NO2 + M ^ N2O5 + M

3.6x 10-

30 (300/T )4-1

1.9x 10-

12(300/T)-0-2, 0.35

NO3 + NO ^ 2 NO2

1.5x 10-

11 exp(170/T)

NO3 + NO3 ^ 2 NO2 + O2

8.5x 10-

13 exp(—2450/T)

N2 + O(!D) + M ^ N2O + M

3.5x 10-

37 (300/T )0-6

N2O + O(xD) ^ N2 + O2

4.7x 10-

11 exp(20/T)

N2O + o(xd) ^ 2 NO

6.7x 10-

11 exp(20/T)

N2O5 + M ^ NO2 + NO3 + M

1.33x10

-3 (T/298)3-5 exp(—11000/T)

9.7x 1014(T/298)-0-1 exp(-11080/T), 0.35

N2O5 + H2O ^ 2 HNO3

2.5x 10-

22

N(2D) + O2 ^ NO + O

9.7x 10-

12 exp(—186/T)

n(2d) + O ^ N + O

1.0x 10-

12

n(2d) + CO2 ^ NO + CO

3.6x 10-

13

n(2d) + CO ^ N + CO

6.0x 10-

12

n(2d) + H2 ^ NH + H

4.2x 10-

11 exp(—881/T)

N(2D) + N2 ^ N + N2

1.7x 10-

14

N(2D) + NO ^ N2 + O

6.0x 10-

11

n(2d) + N2O ^ N2 + NO

1.5x 10-

11 exp(—567/T)

N(2D) N

1.07x10

-5

Table B.5 Ion-neutral reactions. The bimolecular forward rate constant, kf, is given. (Source: UDfA 2005)

Ion-neutral reaction k

O+ + O+ + O+ + O+ + O+ + O+ + O+ + O+ + O+ + O+ + O+ + O+ +

CO2 CO O2

CO2 — CO+ + N CO2 — CO+ + NO CO— CO+ + N CO— NO+ + C e — N

NO — NO+ + O2 N — NO+ + O C — C+ + O2 CO+ + O O + O

CO O

CO CO2 - CO2 CO2 + NO+ CO - O NO+ + C — NO+ + CO -+ O+ + CO

CO CO CO

CO2 — CO+ + He CO2 — O+ + C + He CO2 — C+ + O2 + H C — C+ + He e — He

2.63 3.11 4.51 7.9x 3.71 7.5x 2.5x 8.25 1.45 4.0x 4.6x 1.8x 5.2x 5.2x 1.9 1.9x 1.2x 1.3x 9.4x 4.9x 4.69 3.24

1.64 9.62 5.3x 1.2x 3.80 2.0x 3.3x 1.2x 1.4x 1.0x 1.1x 2.0x 1.1x 4.67 1.6x 8.7x 1.0x 1.21 1.1x 4.0x 6.3x 2.36

10"

x 10-7 (300/Te)° x 10-7 (300/Te)° 10-1°(300/t )-10-1°

x 10-7 (300/Te)° 10-11 10-11 <10-1° <10-1° <10-1° 10-11

x 10-7 (300/Te)° 10-11 10-1° 10-1° 10-1° 10-9 10-1°

U.24

Table B.6 Hydrogen reactions. The bimolecular forward rate constant, kf, is given, or the termolecular low pressure rate constant, ko, the high-pressure rate constant, kand the parameter f. (Sources: JPL 2006, IUPAC 2006, NIST 2006)

Chemical reactions

kf or fco, fcoo, /

H + 02 + M H02 + M

5.4x lO-3^ (300/T)i'8

9.5x10-11 (300/t)-°-44, 0.5

H + H + M ^ H2 + M

8.85x 10-33 (T/298)-0'6

H + OH + M ^ H2O + M

6.87X10-31 (t/298)-2

H + HO2 ^ 2 OH

7.2x 10-11

H + HO2 ^ H2 + O2

6.9x 10-12

H + HO2 ^ H2O + O

1.6x 10-12

OH + O ^ O2 + H

2.2x 10-11 exp(120/T)

OH + NO + M ^ HONO + M

7.4x 10-31 (300/T )2'4

3.3x 10-11 (300/T)°'3, 0.81

OH + NO2 + M ^ HNO3 +

M

3.0x 10-30 (300/T )3'°,

4.1x10-11, 0.4

2 OH ^ H2O + O

6.2x 10-14 (T/298)2'6 exp(946/T)

2 OH + M ^ H2O2 + M

6.9x 10-31 (300/T)

2.6x 10-11

HO2 + O ^ OH + O2

3.0x 10-11 exp(200/T)

HO2 + OH ^ H2O + O2

4.8x 10-11 exp(250/T)

HO2 + NO ^ NO2 + OH

3.5x 10-12 exp(250/T)

HO2 + NO2 + M ^ HNO4 +

M

2.0x 10-31 (300/T )3'4

2.9x 10-12(300/T)1'1, 0.6

HO2 + CO ^ CO2 + OH

5.96x 10-11 (T/298)0'5 exp(-11498/T)

2 HO2 ^ H2O2 + O2

3.5x 10-13 exp(430/T)

2 HO2 + M ^ H2O2 + O2 +

M

1.9x 10-33 exp(980/T)

H2 + O ^ OH + H

1.54x 10-9 exp(-9742/T)

H2 + OH ^ H2O + H

5.5x 10-12 exp(-2000/T)

H2 + O(XD) ^ OH + H

1.1x10-1°

H2 + HO2 ^ H2O2 + H

5.0x 10-11 exp(—13098/T)

H2O + O(!D) ^ 2 OH

1.63x10-1° exp(60/T)

H2O2 + O ^ OH + HO2

1.4x 10-12 exp(-2000/T)

H2O2 + OH ^ H2O + HO2

2.9x 10-12 exp(—160/T)

HONO + OH ^ H2O + NO2

1.8x 10-11 exp(—390/T)

HNO3 + OH ^ H2O + no3

1.5x 10-13

hno4 + M ^ HO2 + NO2 +

M

4.1 x 10-5 exp(—10600/T)

4.8x1015exp(—111170/T), 0.6

HNO4 + O ^ OH + NO2 +

O2

7.8x 10-11 exp(—3400/T)

HNO4 + OH ^ H2O + NO2

+ O2

1.9x 10-12 exp(272/T)

NH3 + OH ^ NH2 + H2O

1.7x 10-12 exp(—710/T)

NH3 + O(!D) ^ NH2 + OH

2.5x10-1°

NH2 + H + M ^ NH3 + M

3.0x 10-30

NH2 + O ^ HNO + H

9.15x 10-11 (T/298)-0'49 exp(-166/T)

NH2 + NO ^ H2 O + N2

4.0xl0-12exp(450/T)

NH2 + O2 ^ H2O + NO

6.0x 10-21

NH2 + NO2 ^ H2O + N2O

2.1x10-12 exp(650/T)

NH2 + H ^ H2 + NH

1.05x 10-1° exp(—4448/T)

NH + O ^ N + OH

1.0x 10-11

NH + NO ^ N2 + O + H

4.9x 10-11

NH + NO2 ^ N2O + OH

3.5x 10-13 exp(1140/T)

HNO + H ^ NO + H2

4.48x 10-11 (T/298)0'72 exp(-327/T)

HNO + OH ^ NO + H2O

5.0x 10-11

HNO + O OH + NO

3.8xl0-11

Table B.7 Chlorine reactions. The bimolecular forward rate constant, kf, is given, or the termolecular low pressure rate constant, k0, the high-pressure rate constant, kx and the parameter f. (Sources: JPL 2006, IUPAC 2006, NIST 2006)

Chemical reactions

Cl

+

O3 -

ClO + O2

Cl

+

O2 +

M - ClO2 + M

Cl

+

NO2 +

- M - ClNO2 + M

Cl

+

CH4 -

HCl + CH3

Cl

+

HO2 -

OH + ClO

Cl

+

HO2 -

HCl + O2

Cl

+

H2 O2

- HCl + HO2

Cl

+

H2 -

HCl + H

Cl

+

HNO4

- HCl + NO2 + O2

Cl

+

NO3 -

ClO + no2

Cl

+

CH2O

- HCl + HCO

Cl

+

HOCl

- Cl2 + OH

Cl

+

CH3Cl - CH2Cl + HCl

Cl

+

ClONO2 - Cl2 + NO3

Cl

+

CH3OH - CH3O + HCl

Cl2 Cl2 ClO

f OH - Cl + HOCl f O(!D) - ClO + Cl + NO2 + M - ClONO2 + M

Cl2 Cl2 ClO

f OH - Cl + HOCl f O(!D) - ClO + Cl + NO2 + M - ClONO2 + M

ClO ClO ClO ClO ClO ClO ClO ClO ClO ClO

NO -NO3

ClO ClO

ClO2 + M -ClO2 + O -ClO2 + NO ClO2 + OH ClO2 + Cl -ClO2 + Cl -ClONO2 + O -ClONO2 + OH ClNO2 + OH -

HCl + OH -HOCl + O -HOCl + OH -CH3Cl + OH CH2Cl + O -

2.3x10 2.2x10 1.8x10 1.8x10 1.0x10 7.3x10 4.1x10 1.8x10 1.1x10 3.05x10 1.0x10 2.4x 10 8.1x 10 2.5x10 2.17x10-n exp(-1130/T) 6.5x10~12 exp(136/ T) 5.5x10-n

1.4x 10~12 exp(-900/T) 1.99x10~10 1.8x10-31 (300/T )3-4 1.5x10~n (300/T )1'9 2.8x 10 1.0x10" 6.4x10" 4.7x 10 2.7x 10 7.4x10" 6.0x 10 1.0x10~19 3.0x10-11 exp(-2450/T) 1.0x10~12 exp(-1590/T) 2.8x 10 2.4x 10 2.5x 10 4.5x 10 1.2x10 2.3x 10 2.9x 10 1.2x10" 2.4x10-12 exp(-1250/T) 1.5x10 1.0x10 2.6x 10 1.7x10 3.0x10 2.4x 10 1.49x10 3.3 10

"31 (300/T )2'0 "10(300/T), 0.6 "12 exp(-1280/T) -11 exp(-450/T) "n exp(171/T) -11 exp(-980/T) -11 exp(-2270/T)

13 11

11 exp(85/T) "12 exp(-5000/T) "12 exp(290/T) 13

"12 exp(220/T) "12 exp(270/T) "13 exp(230/T)

"10 exp(-1820/T) "12 exp(-960/T) "12 exp(-600/T) "13 exp(800/T) 11 0-10 "12 exp(-800/T) "12 exp(-330/T)

"12 exp(-500/T "12 exp(-1250/T) -10 exp(-176/T) 10

Table B.8 Carbon reactions. The bimolecular forward rate constant, kf, is given, or the termolecular low pressure rate constant, k0, the high-pressure rate constant, kx and the parameter f. P0 = 1 bar. (Sources: JPL 2006, IUPAC 2006, NIST 2006)

Chemical reactions kf or o, f k

HCO + O2 — CO + HO2 CO + OH — H + CO2 CO + O + M — CO2 + M CO + H + M — HCO + M CO2 + O(1D) — CO2 + O CO2 + O(1D) — CO + O2 CO2 + O — CO + O2 CO2 + H — CO + OH CO2 + N — CO + NO CO2 + C — 2 CO C + O2 — CO + O CO2 + CH2 — CH2O + CO CH4 + O(1D) — CH3 + OH CH4 + o(1d) — CH3O + H CH4 + o(1d) — CH2O + H2 CH4 + O — CH3 + OH CH4 + OH — CH3 + H2O CH3 + O — CH2 O + H CH3 + O3 — CH3O + O2 CH2 + H2 —► CH3 + H CH3 + O2 + M — CH3 O2 + M

CH3 O + O2 — CH3 O + NO — CH3 O + NO2 -CH3 O2 + O — CH3 O2 + NO -CH3 O2 + HO2

CH2O + HO2 CH2O + HNO ->■ CH2 O + HONO CH3O + O2 ->■ NO2 + CH3O — CH3OOH + O2

5.2x10 1.3x10 1.7x10 5.29x10

7.4x10-11 exp(120/ T) 2.01x10-10 2.81x10 2.51x10 3.2x 10-13 exp(-1711/T) 1.0x10-15 1.0x10-9 1.4x10

5.63x 10-10 exp(-6230/ T) 2.45x 10-12 exp(-1775/T) 1.1x10-10 5.4x 10-6.9x 10-1.0x10- 30 (300/ T)3'3 1.8x10-12(300/T)-1'1, 0.27 3.9x 10-14 exp(-900/ T) 8.0x 10-12

1.1x10-11 exp(-1200/ T) 4.3x 10-11 2.8x10-12' 3.8x 10-13 exp(780/ T) 5.94x 10-14 exp(390/ T) 3.56x 10-14 exp(390/ T) 2.9x10- " 3.8x 10-

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