ISSI Meeting, Bern 19-23 January 2014

New 3D photochemical global model

with ions in D-region: The instrument for solar-atmospheric relations study

 Alexei Krivolutsky

Lidiya Cherepanova, Tatyana Vyushkova,

and Alexander Repnev

Laboratory for Atmospheric Chemistry and Dynamics

Central Aerological Observatory, Dolgoprudny, Moscow Region

Russia

Outline

• 1. Model description• 2. Results of simulations:• - neutral compounds;• - electrons;• - other ions.• 3. Effects of solar cycle• 4. Conclusions •

MODELCHARM – I (CHemical Atmospheric Research Model with Ions)

(Krivolutsky et al., 2015)

Heights: 0-90 km

P, L – photochemical sources and losses U, V, W – wind components, µ – mixing rationumber of species: neutrals – 41; ions – 23number of chemical reactions (total): 194 Photodissociation and ionization rates (total) : 48Methods: “chemical families” for neutrals (Turco, Whitten, 1974) “electroneutrality” for ions Prather’s scheme for advection ( Prather, 1986)Resolution: 2 km Х 5 Х 5 deg., Time step: 100 s

tUa

Va

Wz

P LAD cos

List of neutral species

• “Families”

• Ox = O3 + O(3P) + O(1D);

• NOy =N + NO + NO2 + NO3 + 2N2O5 + HNO3 + HO2NO2 + ClNO3+N(2D);

• Cly=Cl + ClO + OClO + ClOO + HOCl + HCl;

• HOx=H + OH + HO2 + 2H2O2 ;

others

• CH3, CH2O, CH3O2, CH3O2H, CH3O, CHO, CO.

• О2(1g)

• Source-gases

• CH4, CO2, N2O, СF2Cl2, CFCl3, H2, Cl4, Cl2, СН3Cl, CH2Cl,

• О2, N2 (fixed profiles), H2O(fixed global field/HALOE).

•

PHOTODISSOCIATION RATES (CHARM-I)

O2+h O+O(1D) N2O5+h NO2+NO3 H2O+h H+OH

O2+h O+O HNO3+h OH+NO2 CF2Cl2+h products

O3+h O+O2 CLONO2+h Cl+NO3 CFCl3+h products

O3+h O(1D)+O2 HCl+h H+Cl CH4+h CH3+H

H2O2+h OH+OH ClO+h Cl+O CH4+h CH2+H2

NO2+h NO+O(1 D) NO3+h NO+O2 CCl4+h products

HNO3+h H+NO3 H2O2+h OH+OH CH3Cl+h CH3+Cl

HOCl+h Cl+HO CO2+h CO+O N2O+h N2+O(1D)

N2O5+h 2NO2+O HO2NO2+h HO2+NO2 Cl2+h Cl+Cl

NO+h N+O NO2+h NO+O NO3+h NO2+O

List of ionized compounds

• Positive:

• O2+ O4

+ O2+(H2O) H+ (H2O) H+ (H2O)3

• H+ (H2O)4 H+ (H2O)2

• NO+N2 NO+CO2 NO+(H2O) NO+(H2O)2 NO+(H2O)3 NO+

•  Negative: [e]

• O2 - O3

- O4- CO4

- O- OH- CO3- O2

- (H2O) HCO3-

•  •  

Ionization

• 1-10 nm ( X-Rays)

• 102,7-111,8 nm О2(1g)

•   q(z)=n(O2(1g))0,54910-9exp(-2,406 10-20

• N(O2)+2,61410-9 exp(-8,50810-20N(O2))

• 121,6 nm ( Lα ) NO

• GCRs (Heaps, 1978) •  

,),()2()2(exp)()()(

z

zdzChOnOaLyINOniNOzLyq

ARM -Atmospheric Research Model (GCM)(Krivolutsky et al., 2012)

Altitudes: 0-135 кмResolutions: vertical– 1 km;longitudinal – 100; latitudinal– 50

time step – 5 min.Paramaterizations:Heating - О2, О3, Н2О (Strobel, 1978; Chou et al., 2002); IR cooling- СО2, О3, H2O, NО ( Chou et al., 2002; Fomichev, 2003; Kockarts, 1980), IGWs (Lindzen, 1981)Planetary waves at lower boundary (S=1,2.3)

Global temperature field for July (К)(Krivolutsky et al, 2012)

-80 -60 -40 -20 0 20 40 60 80

Latitude

20

40

60

80

100

120

Hei

ght

100

130

150

160

190

200

210

220

240

250

270

300

350

400

450

500

550

600

Zonal wind structure (m/s) for July (Krivolutsky et. al, 2012)

Height (km)

latitude

Amplitude of D tidal component in zonal wind (m/s) July (Krivolutsky et al., 2012) Height (km)

latitude

-80 -70 -60 -50 -40 -30 -20 -10 0 10 20 30 40 50 60 70 80

20

30

40

50

60

70

80

90

100

110

120

2

4

6

8

10

12

14

16

18

20

22

24

26

28

30

32

Amplitude of SD tidal component in zonal wind (m/s) July (Krivolutsky et al., 2012) Height (km)

latitude

-80 -70 -60 -50 -40 -30 -20 -10 0 10 20 30 40 50 60 70 80

20

30

40

50

60

70

80

90

100

110

120

24681012141618202224262830323436384042

Neutral compounds: O3 ( ppmv) January

-80 -60 -40 -20 0 20 40 60 80Latitude

0

10

20

30

40

50

60

70

80H

eigh

t (km

)

Neutral compounds: NOy ( ppbv) January(CHARM-I)

-80 -60 -40 -20 0 20 40 60 80Latitude

0

10

20

30

40

50

60

70

80H

eigh

t (km

)

Neutral compounds: HNO3 ( ppbv) January (CHARM-I)

-80 -60 -40 -20 0 20 40 60 80Latitude

0

10

20

30

40

50

60

70

80H

eigh

t (km

)

Neutral compounds: N2O ( ppbv) January

-80 -60 -40 -20 0 20 40 60 80Latitude

0

10

20

30

40

50

60

70

80H

eigh

t (km

)

Calculated ionization rate by Lα

Electron density, 80 km (number/cm**3) 1st January (00:00 UT) Latitude

Longitude

0 50 100 150 200 250 300 350

-50

0

50

IONS: electron density, 60 km (number/cm**3) 1st January (00:00 UT)

NO+ (number/cm**3) at 80 km 1st January (00:00 UT)

NO+ (number/cm**3) at 70 km 1st January (00:00 UT)

O2+ (number/cm**3) at 80 km 1st January (00:00 UT)

O2+ (number/cm**3) at 70 km 1st January (00:00 UT)

O-2

(number/cm**3) at 80 km1st January (00:00 UT)

O-2

(number/cm**3) at 60 km1st January (00:00 UT)

1E+002 1E+004 1E+006 1E+008 1E+010

40

50

60

70

80

90

He

igh

t (k

m)

C O 4-C O 3-

H C O 3- e

C oncentration (m -3)

45oN

1st January (noon)

1st January (noon)

1E +001 1E +003 1E +005 1E +007 1E +009

40

50

60

70

80

90H

eig

ht

(km

)

O 2-

O 2-H 2O

O 3-

e

C oncentration (m -3)

45oN

1st January (noon)

1E -001 1E +001 1E +003 1E +005 1E +007 1E +009

40

50

60

70

80

90

He

igh

t (k

m)

N O +

N O +H 2O

N O +(H 2O )3

C oncentration (m -3)

45oN

electrons (number/m**3) 45 N (noon)

POSITIVE IONS: O2+ (number/m**3) 45 N (noon)

POSITIVE IONS: H+(H2O)4 (number/m**3) 45 N (noon)

POSITIVE IONS: O2+H2O

45 N (noon)

• Effects of solar cycle simulated

• with CHARM-I

Solar cycle in UV radiation(Matthew et al., 2012)

Solar UV variations (164,5 нм)

Solar UV spectrum variations used in model runs

Ozone change (%) max-min

Ox change (%) max-min

HOx change (%) max-min

NOy change (%) max-min

Simulated changes in electron density (%)between max. and min. of solar cycle

(January)

Simulated changes in NO+ (%)between max. and min. of solar cycle

(January)

Simulated changes in NO+ (H2O) (%)between max. and min. of solar cycle

(January)

Simulated changes in O2+ (%)

between max. and min. of solar cycle (January)

Concluding remarks

• 1. It seems that CHARM-I reproduces ion and neutral composition well.

• 2. UV variations disturb neutrals ( ozone etc) and ion composition due to its interactions.

• 3. Solar cycle in ionization was included

• only by Lα , Lβ

• 4. Effect of particles will be included.

Thank you for your attention!