1. 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

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

3. MODEL CHARM – 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 ratio number of species: neutrals – 41; ions – 23 number of chemical reactions (total): 194 Photodissociation and ionization rates (total) : 48 Methods: “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

4. List of neutral species “Families” Ox = O 3 + O( 3 P) + O( 1 D); NOy =N + NO + NO 2 + NO 3 + 2N 2 O 5 + HNO 3 + HO 2 NO 2 + ClNO 3 +N( 2 D); Cly=Cl + ClO + OClO + ClOO + HOCl + HCl; HOx=H + OH + HO 2 + 2H 2 O 2 ; others CH 3, CH 2 O, CH 3 O 2, CH 3 O 2 H, CH 3 O, CHO, CO. О 2 ( 1  g ) Source-gases CH 4, CO 2, N 2 O, СF 2 Cl 2, CFCl 3, H 2, Cl 4, Cl 2, СН 3 Cl, CH 2 Cl, О 2, N 2 (fixed profiles), H 2 O(fixed global field/HALOE).

5. PHOTODISSOCIATION RATES (CHARM-I) O2+h  O+O( 1 D) 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( 1 D)+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

6. List of ionized compounds Positive: O 2 + O 4 + O 2 + (H 2 O) H + (H 2 O) H + (H 2 O) 3 H + (H 2 O) 4 H + (H 2 O) 2 NO + N 2 NO + CO 2 NO + (H 2 O) NO + (H 2 O) 2 NO + (H 2 O) 3 NO + Negative: [e] O 2 - O 3 - O 4 - CO 4 - O - OH - CO 3 - O 2 - (H 2 O) HCO 3 -

7. Ionization 1-10 nm ( X-Rays) 102,7-111,8 nm О 2 ( 1  g ) q(z)=n(O 2 ( 1  g ))  0,549  10 -9 exp(-2,406  10 -20 N(O 2 )+2,614  10 -9 exp(-8,508  10 -20 N(O 2 ))  121,6 nm ( L α ) NO GCRs (Heaps, 1978)

8. ARM -Atmospheric Research Model (GCM) (Krivolutsky et al., 2012) Altitudes: 0-135 км Resolutions: vertical– 1 km; longitudinal – 10 0 ; latitudinal– 5 0 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)

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

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

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

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

13. Neutral compounds: O 3 ( ppmv) January

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

15. Neutral compounds: HNO 3 ( ppbv) January (CHARM-I)

16. Neutral compounds: N 2 O ( ppbv) January

17. Calculated ionization rate by L α

18. Electron density, 80 km (number/cm**3) 1 st January (00:00 UT) Latitude Longitude 050100150200250300350 -50 0 50

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

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

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

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

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

24. O - 2 (number/cm**3) at 80 km 1 st January (00:00 UT)

25. O - 2 (number/cm**3) at 60 km 1 st January (00:00 UT)

26. 1 st January (noon)

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

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

31. POSITIVE IONS: H + (H 2 O) 4 (number/m**3) 45 N (noon)

32. POSITIVE IONS: O 2 + H 2 O 45 N (noon)

33. Effects of solar cycle simulated with CHARM-I

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

35. Solar UV variations (164,5 нм)

36. Solar UV spectrum variations used in model runs

37. Ozone change (%) max-min

38. O x change (%) max-min

39. HO x change (%) max-min

40. NOy change (%) max-min

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

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

43. Simulated changes in NO + (H 2 O) (%) between max. and min. of solar cycle (January)

44. Simulated changes in O 2 + (%) between max. and min. of solar cycle (January)

45. 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 L α, L β 4. Effect of particles will be included.

46. Thank you for your attention!