WACCM Chemistry Tutorial Doug Kinnison D. Marsh, S. Walters, G. Brasseur, R. Garcia, R. Roble, many more…[email protected] 8 June 2007

WACCM Chemistry TutorialWACCM Chemistry Tutorial

Doug KinnisonD. Marsh, S. Walters, G. Brasseur, R. Garcia, R.

Roble, many more…

[email protected]@ucar.edu

303-497-1469303-497-1469

8 June 20078 June 2007

Tutorial Outline…Tutorial Outline…

• In the Beginning…

• Chemistry Preprocessor

• Numerical Solution Approach

• Chemical Mechanism (s)

• Boundary Conditions (UB,LB)

• Heterogeneous Processes

• Photolysis / Heating Rates

• Summary / Future DevelopmentJarvis, “Bridging the Atmospheric Divide”

Science, 293, 2218, 2001

Surface to 150 km (500 km)

UCAR Quarterly – winter 1999

First Interactive results were show in 2003.

UCAR Quarterly – winter 1999

Whole Atmosphere Community Climate Whole Atmosphere Community Climate Model (WACCM)Model (WACCM)

MOZART3 CTM

WACCM

CAM3

TIME-GCM

ACD, R. Garcia, PIACD, R. Garcia, PI

HAO, R. Roble, PIHAO, R. Roble, PI

CGD, B. Boville, PICGD, B. Boville, PI

0-150 km; 2.00-150 km; 2.0x2.5x2.5,, 66L 50-110 species66L 50-110 species

Model-OZone And Related Model-OZone And Related chemical Tracerschemical Tracers

Themosphere-Ionosphere-Themosphere-Ionosphere-Mesosphere-ElectrodynamicsMesosphere-Electrodynamics

ProcessesProcesses

Community Atmospheric Community Atmospheric ModelModel

Need to Represent Need to Represent Chemical Processes at Chemical Processes at relatively fine relatively fine resolutionresolution

2.82.8 x 2.8 x 2.8Courtesy of A. GettelmanCourtesy of A. Gettelman

MLT; 3-5 km Res.MLT; 3-5 km Res.

Stratosphere; 1-2 km Res.Stratosphere; 1-2 km Res.

UTLS; 1 km Res.UTLS; 1 km Res.

Cost of Adding Chemistry (1.9x2.5)…

Courtesy of Stacy Walters

Cost of Adding Chemistry…Cost of Adding Chemistry…

WA3/CAM = 12

WA3/GHG = 3

Courtesy of Stacy Walters






• Boundary Conditions (UB,LB, In Situ)



• Summary / Future Development

Input FileInput File

PreprocessorPreprocessor

Creates files specific and necessary to the chemical simulation.

InputInput File for PreprocessorFile for PreprocessorBEGSIMoutput_unit_number = 7output_file = ions.marsh.docprocout_path = ../output/src_path = ../bkend/procfiles_path = ../procfiles/cam/sim_dat_path = ../output/sim_dat_filename = ions.marsh.dat

COMMENTS "This is a waccm2 simulation with:" "(1) The new advection routine Lin Rood" "(2) WACCM dynamical inputs" "(3) Strat, Meso, and Thermospheric mechanism"End COMMENTS

SPECIES

Solution O3, O, O1D -> O, O2, O2_1S -> O2, O2_1D -> O2 N2O, N, NO, NO2, NO3, HNO3, HO2NO2, N2O5 CH4, CH3O2, CH3OOH, CH2O, CO H2, H, OH, HO2, H2O2 CL -> Cl, CL2 -> Cl2, CLO -> ClO, OCLO -> OClO, CL2O2 -> Cl2O2 HCL -> HCl, HOCL -> HOCl, CLONO2 -> ClONO2, BRCL -> BrCl BR -> Br, BRO -> BrO, HBR -> HBr, HOBR -> HOBr, BRONO2 -> BrONO2 CH3CL -> CH3Cl, CH3BR -> CH3Br, CFC11 -> CFCl3, CFC12 -> CF2Cl2 CFC113 -> CCl2FCClF2, HCFC22 -> CHF2Cl, CCL4 -> CCl4, CH3CCL3 -> CH3CCl3 CF3BR -> CF3Br, CF2CLBR -> CF2ClBr, CO2, N2p -> N2, O2p -> O2 Np -> N, Op -> O, NOp -> NO, e, N2D -> N, H2O End Solution

Fixed M, N2 End Fixed

Solution classes

Explicit CH4, N2O, CO, H2, CH3CL, CH3BR, CFC11, CFC12, CFC113 HCFC22, CCL4, CH3CCL3, CF3BR, CF2CLBR, CO2 End explicit Implicit O3, O, O1D, O2, O2_1S, O2_1D N, NO, NO2, OH, NO3, HNO3, HO2NO2, N2O5 CH3O2, CH3OOH, CH2O, H, HO2, H2O2, H2O CL, CL2, CLO, OCLO, CL2O2, HCL, HOCL, CLONO2, BRCL BR, BRO, HBR, HOBR, BRONO2, N2p, O2p, Np, Op, NOp, N2D, e End implicit End Solution classes

InputInput File for PreprocessorFile for Preprocessor

Photolysis [jo2_a] O2 + hv -> O + O1D [jo2_b] O2 + hv -> 2*O [jo3_a] O3 + hv -> O1D + O2_1D [jo3_b] O3 + hv -> O + O2 [jn2o] N2O + hv -> O1D + N2 [jno] NO + hv -> N + O [jno_i] NO + hv -> NOp + e [jno2] NO2 + hv -> NO + O [jn2o5_a] N2O5 + hv -> NO2 + NO3 [jn2o5_b] N2O5 + hv -> NO + O + NO3..

Reactions…[cph25,cph] N2D + O2 -> NO + O1D ; 5.e-12[cph26,cph] N2D + O -> N + O ; 4.5e-13 . NO + O + M -> NO2 + M ; 9.0e-32, 1.5, 3.0e-11, 0., 0.6 NO2 + O + M -> NO3 + M ; 2.5e-31, 1.8, 2.2e-11, .7, 0.6 NO2 + O3 -> NO3 + O2 ; 1.2e-13, -2450 [usr3] NO2 + NO3 + M -> N2O5 + M ; 2.e-30, 4.4, 1.4e-12, .7, .6 [usr3a] N2O5 + M -> NO2 + NO3 + M

Termolecular reactions: Troe Expression

bimolecular reactions: Arrhenius Expression

* --------------------------------------------------------------* Sulfate aerosol reactions* -------------------------------------------------------------- [het1] N2O5 -> 2*HNO3 [het2] CLONO2 -> HOCL + HNO3 [het3] BRONO2 -> HOBR + HNO3 [het4] CLONO2 + HCL -> CL2 + HNO3 [het5] HOCL + HCL -> CL2 + H2O [het6] HOBR + HCL -> BRCL + H2O










Numerical ApproachNumerical Approach

dy

dt f t,y P t,y L(t,y)y

yi t fi{y1,y2 ,....yN}

i1 i N

• System of time-dependent Ordinary Differential Eq.

y n1 y n t f tn,yn

(1) Long-lived: Explicit Forward Euler method (e.g., N2O)

- This system is solved via two - This system is solved via two AlgorithmsAlgorithms

t = tt = tnn+1 - +1 - ttn n

where where tt = 30 = 30

minutesminutesSandu et al, J. Comp. Phys., 129, 101-110, 1996.

(2) Short-lived: Implicit Backward Euler method (e.g. OH, O3)

y n1 y n t f tn1,yn1

- The algebraic system for method (2) is quadradically non-linear.- This system can be written as:

G y n1 y n1 y n t f tn1 ,yn1 0

- Here G is a Ni valued, non-linear vector function, where Ni = # species- Eq. 2.1 is solved via a Newton-Raphson iteration, or…

(2.1)(2.1)

(2.2)(2.2)- The iteration and solution of Eq. 2.2 is carried out with a sparse matrix solver

- This process is terminated when the given solution variable change in relative terms is less than a prescribed value (typically 0.001).

- If the iteration max is reached (10) before reaching this criterion, the timestep is cut in half and Eq. 2.2 is iterated again. The timestep can be reduced 5 times before a result is returned (good or bad).

Jij Gi /y j

Numerical Approach Cont…Numerical Approach Cont…









• Future Development

Model Chemistry - 55 Species MechanismModel Chemistry - 55 Species MechanismLong-lived Species: (19-species) - Explicit Forward Euler

Misc: CO2, CO, CH4, H2O, N2O, H2, O2

CFCs: CCl4, CFC-11, CFC-12, CFC-113 HCFCs: HCFC-22 Chlorocarbons: CH3Cl, CH3CCl3, Bromocarbons: CH3Br Halons: H-1211, H-1301 Constant Species: M, N2

Short-lived Species: (36-species) - Implicit Backward Euler*

OX: O3, O, O(1D)NOX: N, N (2D), NO, NO2, NO3, N2O5, HNO3, HO2NO2

ClOX: Cl, ClO, Cl2O2, OClO, HOCl, HCl, ClONO2, Cl2

BrOX: Br, BrO, HOBr, HBr, BrCl, BrONO2

HOX: H, OH, HO2, H2O2

HC Species: CH2O, CH3O2, CH3OOHIons: N+, N2

+, NO+, O+, O2+

* Non-linear system of equations are solved using a Newton Raphson * Non-linear system of equations are solved using a Newton Raphson iteration technique; iteration technique; uses sparse matrix techniques; Sandu et al, uses sparse matrix techniques; Sandu et al, J. Comp. PhysJ. Comp. Phys., 129, 101-110, 1996. ., 129, 101-110, 1996.

* Non-linear system of equations are solved using a Newton Raphson * Non-linear system of equations are solved using a Newton Raphson iteration technique; iteration technique; uses sparse matrix techniques; Sandu et al, uses sparse matrix techniques; Sandu et al, J. Comp. PhysJ. Comp. Phys., 129, 101-110, 1996. ., 129, 101-110, 1996.

Radiatively Active

Model Chemistry - 106 Species MechanismModel Chemistry - 106 Species Mechanism(219 Thermal; 18 Het.; 71 photolytic)(219 Thermal; 18 Het.; 71 photolytic)

Additional Surface Source Gases (13 additional) … NHMCs: CH3OH,

C2H6, C2H4, C2H5OH, CH3CHOC3H8, C3H6, CH3COCH3 (Acetone)C4H8 (BIGENE), C4H8O (MEK)C5H8 (Isoprene), C5H12 (BIGALK)C7H8 (Toluene) C10H16 (Terpenes)

Radicals: Approx. 45 additional species.

Includes: Detailed 3D (lat/lon/time) emission inventories of natural and anthropogenic surface sources

Dry and wet deposition of soluble speciesLightning and Aircraft production of NOx

Kinnison et al., accepted, J. Geophys. Res., 2007.

Comparison of Mechanisms (106 - 50 / Comparison of Mechanisms (106 - 50 / 50)50)

Ozone change in tropicsOzone change in tropics

RORO22 + NO -> RO + NO + NO -> RO + NO22

NONO22 + hv -> NO + O + hv -> NO + O

O + OO + O22 + M -> O + M -> O33 + M + M

StratosphereStratosphere

TroposphereTroposphere

Comparison of Mechanisms (106 - 50 / Comparison of Mechanisms (106 - 50 / 50)50)

CO change in tropicsCO change in tropics

StratosphereStratosphere

TroposphereTroposphere










Lower Boundary Conditions…Total Organic Chlorine CH4, 30N

CO2, 30N Surface CO (from emission BC)

In Situ Forcings

Surface NO (from emission BC)

Lightning NOx- Production: Price et al., 1997- Distribution: Pickering, 1998

Other In situ Forcings…

•Subsonic Aircraft NOx and CO is also included. Friedl et al., 1997.

•Auroral NOx (based on TIME-GCM)

•SPE’s (Jackman/Marsh)

Upper Boundary Conditions…• For most constituents in WACCM the UB is zero flux.

• O, O2, H, and N mixing ratios are set using MSIS (Mass Spectrometer-Incoherent Scatter) model.

• CO, CO2 are taken from the TIME-GCM (Roble and Ridley, 1994)

• NO is taken from observations using the Student Nitric Oxide Explorer satellite (SNOE; Barth et al., 2003), which has been parameterized as a function of latitude, season, phase of solar cycle in Marsh et al, 2004 - Nitric Oxide Empirical Model (NOEM).










Heterogeneous ChemistryHeterogeneous ChemistryReactions on three aerosol types (Sulfate, NAT, Water-ICE):

N2O5 + H2O => 2HNO3

ClONO2 + H2O => HOCl + HNO3

ClONO2 + HCl => Cl2 + H2OHOCl + HCl => Cl2 + H2OHOBr + HCl => BrCl + H2OBrONO2 + H2O => HOBr + HNO3

Rate Constants Approach:

K = 1/4 V * SAD * V = mean speed (kinetic theory of gases)

= reaction probability (# gas molecules absorbed / # gas collisions at surface)

SAD = aerosol surface area density (cm2 aerosol / cm3 atmosphere)

Units = (cm/sec) * (cm2/cm3) = sec-1

d[N2O5] / dt = -k [N2O5]

Reaction Uptake Coefficient on Sulfate Reaction Uptake Coefficient on Sulfate Aerosol Aerosol (JPL-02, Sander et al.)(JPL-02, Sander et al.)

f (T, P, Hf (T, P, H22SOSO44 wt%, [H wt%, [H22O], [HCl], [HOCl], radius)O], [HCl], [HOCl], radius)

Sulfate Sulfate Aerosol Aerosol Reaction Reaction

Probability Probability Equations: Equations:

JPL02JPL02

Reaction Uptake Coefficient on NAT, ICE Reaction Uptake Coefficient on NAT, ICE Aerosol Aerosol (JPL-02, Sander et al.)(JPL-02, Sander et al.)

ReactionReaction NATNAT Water-Water-IceIce

NN22O5 + HO5 + H22O => 2 HNOO => 2 HNO33 0.00040.0004 0.020.02

ClONOClONO22 + H + H22O => HNOO => HNO33 + HOCl + HOCl 0.0040.004 0.30.3

ClONOClONO22 + HCl => HNO + HCl => HNO33 + Cl + Cl22 0.20.2 0.30.3

HOCl + HCl => HHOCl + HCl => H22O + ClO + Cl22 0.10.1 0.20.2

BrONOBrONO22 + H + H22O => HNOO => HNO33 + HOBr + HOBr 0.30.3 0.30.3

HOBr + HCl => BrCl + HHOBr + HCl => BrCl + H22OO -- 0.30.3

SAGEII, Lidar Data Time-series @47.5 N

Taken from WMO, Scientific Assessment of Ozone

Depletion, Chapter 4, 2002

Global SAD Data Used in Model Studies.Global SAD Data Used in Model Studies.

Thomason et al., JGR, 1996Thomason et al., JGR, 1996

Aerosol SAD

AgungAgung El ChichonEl Chichon Mt PinatuboMt Pinatubo

Stratospheric AerosolsTypes:

Liquid Liquid (STS)(STS)

Carslaw et al., Rev. Carslaw et al., Rev. Geophys., 1997Geophys., 1997

Fahey et al., Science, Fahey et al., Science, 20012001NASA SOLVE MissionNASA SOLVE Mission

Solid Solid (NAT)(NAT)

LIQUIDLIQUID SOLIDSOLID

CCM Approach - HeterogeneousCCM Approach - Heterogeneous ProcessesProcessesConsidine,Considine, +Drdla et al., JGR, 108, 8318, 2003.+Drdla et al., JGR, 108, 8318, 2003.

>200 K

Sulfate Aerosols (H2O, H2SO4) - LBSRlbs = 0.1 m

Sulfate Aerosols (H2O, HNO3, H2SO4) - STSRsts = 0.5 m

Nitric Acid Hydrate (H2O, HNO3) – NAT

RNAT= 6.5 m; 2.3(-4) cm-3

k=1/4*V*SAD* (SAD from SAGEII)

Thermo. Model (Tabazadeh)

ICE (H2O, with NAT Coating)

Rice= 10-30 m

188 K(Tsat)

185 K(Tnuc)

T (K)T (K)86N, ZA86N, ZA

HNOHNO33 (vmr) (vmr)86N, ZA86N, ZA

DenitrificationDenitrification

Santee et al., MLS Aura Proposal (2007) will evaluate the denitrification approach in

WACCM3

HH22O SH- DehydrationO SH- DehydrationPOAMIII, 1998 WACCM3 (sampled like

POAMIII)

Descent

Mid-latitude Air

Dehydration

WMO 2002, Figure 3-19, Nedoluha et al., 2000.

Descent

Mid-latitude Air

Dehydration

Descent

Mid-latitude Air

Dehydration

Descent

Mid-latitude Air

Dehydration

Alti

tude

(km

)

Alti

tude

(km

)Day of Year Day of Year

Dehydration Dehydration derived in derived in prognostic Hprognostic H22O O Routines in CAM3!Routines in CAM3!

Courtesy of Cora Randall, CU/LASPCourtesy of Cora Randall, CU/LASP

86S, 43 hPa, Zonal Mean86S, 43 hPa, Zonal Mean

ClONO2 + HCl +> Cl2 + HNO3

Cl2 + hv => 2Cl

2(Cl + O3 => ClO + O2)ClO + ClO + M => Cl2O2 + MCl2O2 + hv => 2Cl + O2

-------------------------------------2O3 => 3O2

NO2

JClJCl22OO22 Caveat… Caveat…

New Cl2O2 cross sections from Pope, Hansen, Bayes, Friedl, and Sander, J. Phys. Chem. A., 2007…

“For conditions representative of the polar vortex (solar zenith angle of 86, 20km, and O3 and T profiles measured in March 2000) calculated photolysis rates are a factor of six lower than the current NASA recommendation. This large discrepancy calls into question the completeness of present atmospheric models of

polar ozone depletion.”










Model Chemistry - Photolytic ProcessesModel Chemistry - Photolytic Processes

750 nm

• Nflux is based on TUV (Madronich)

• Nflux (p, ) is function of (Col. O3; Zenith Angle, Albedo)• x is function of ( T, p )

Inline (33 Bins) LUT (67 Bins)

O2 + hv -> O (3P) + O(1D); d[O2]/dt = -JO2 [O2]

JO2 (p) = Fexo (,t) x Nflux(p, ) x () x ()

200 nm

CAM3 SW Heating rates

121 nm

• JO2 Lyman Alpha

• JO2 SRB

• JNO SRB

• x of 20 species

• Nflux (p, ) is funct.(O3, O2)Heating and

Photolysis rates

121 nm

EUV (23 Bins)

0.05 nm

FFexoexo for Solar Cycle Studies: Model for Solar Cycle Studies: Model InputInput

Spectral compositecourtesy of:

Judith Lean (NRL)and

Tom Woods (CU/LASP)

Ion Chemistry Included in WACCM3: NOx Ion Chemistry Included in WACCM3: NOx ProductionProduction

Ion species:Ion species:

NN22+ + , O, O22

+ + , N, N+ + , O, O+ + , NO, NO+ + , and e, and e

Photon / Photoelectron Photon / Photoelectron processes with O, N, Oprocesses with O, N, O22, , NN2 2

Reactions with Neutrals:Reactions with Neutrals:

r1: Or1: O+ + + O+ O22 -> O -> O22+ + + O+ O

r2: Or2: O+ + + N+ N22 -> NO -> NO+ + + N+ N

r3: Nr3: N22+ + + O -> NO+ O -> NO+ + + N(+ N(22D)D)

r4: Or4: O22+ + + N -> NO+ N -> NO+ + + O+ O

r5: Or5: O22+ + + NO -> NO+ NO -> NO+ + + O+ O22

r6: Nr6: N+ + + O+ O22 -> O -> O22+ + + N + N

r7: Nr7: N+ + + O+ O22 -> NO -> NO+ + + O+ Or8: Nr8: N+ + + O -> O+ O -> O+ + + N+ N

r9: Nr9: N22+ + + O+ O22 -> O -> O22

+ + + N+ N22

r10: Or10: O22+ + + N+ N22 -> NO -> NO+ + + NO+ NO

r11: Nr11: N22++ + O -> O + O -> O+ + + N+ N22

Reactions the produce NOxra1: NO+ + e -> N + O (20%) -> N(2D) + O (80%)ra3: N2

+ + e -> 2N (10%) -> N(2D) + N (90%)

Courtesy of D. MarshCourtesy of D. Marsh

N(2D) + O2 => NO + O

SPE’sSPE’s

Model Chemistry - Photolytic ProcessesModel Chemistry - Photolytic Processes

750 nm

• Nflux is based on TUV (Madronich)

• Nflux (p, ) is function of (Col. O3; Zenith Angle, Albedo)• x is function of ( T, p )

Inline (33 Bins) LUT (67 Bins)

O2 + hv -> O (3P) + O(1D); d[O2]/dt = -JO2 [O2]

JO2 (p) = Fexo (,t) x Nflux(p, ) x () x ()

200 nm

CAM3 SW Heating rates

121 nm

• JO2 Lyman Alpha

• JO2 SRB

• JNO SRB

• x of 20 species

• Nflux (p, ) is funct.(O3, O2)Heating and

Photolysis rates

121 nm

EUV (23 Bins)

0.05 nm

Heating Rate ApproachHeating Rate Approach

Solar Energy, h

Atomic and Molecular Internal

Energy

Translational Energy

Chemical Potential Energy

Radiative Loss

Heating Rate Approach Cont…Heating Rate Approach Cont…

O3

O(1D)

O2 (1)

+ h (<310 nm)

O2 (1)

+

O(3P)

N2 (v)

N2 CO2 (001)

CO2

O2

Heat

HeatHeat

Heat

Heat

Heat

O2

4.3 m

1.27 m

762 nm865 nm

O2+ h (<175 nm)

+N2

+O2

O2

Heat

+M

+M

Chemical Potential Heating ReactionsChemical Potential Heating Reactions

Chemical Reactions KJ/mole

O + O3 => 2O2 -392.19

O + O + M => O2 + M -493.58

O + OH => H + O2 -67.67

O + HO2 => OH + O2 -226.58

H + O2 + M => HO2 + M -203.40

O + O2 + M => O3 + M -101.39

H + O3 => OH + O2 -194.71

HO2 + NO => NO2 + OH -34.47

HO2 + O3 => OH + 2O2 -120.10

HO2 + HO2 => H2O2 + O2 -165.51

OH + O3 => HO2 + O2 -165.30

NO + O3 => NO2 + O2 -199.17

NO2 + O => NO + O2 -193.02

OH + HO2 => H2O + O2 -293.62

H + HO2 => H2 + O2 -232.59

Mlynczak and Solomon, 1993


O (1D) + O2 => O + O2 (1) -32.91

O (1D) + N2 => O + N2 -189.91


O2 (1) + O => O2 (1) + O -62.60

O2(1) + O2 => O2 (1) + O2 -62.60

O2 (1) + N2 => O2 (1) + N2 -62.60

O2 (1) + O3 => O2 (1) + O3 -62.60

O2 (1)+ O => O2 + O -94.30

O2 (1)+ O2 => 2O2 -94.30

O2 (1)+N2 => O2 + N2 -94.30


N (2D) + O2 => NO + O(1D) -177.51

N (2D) + O => N + O -229.61

N + O2 => NO + O -133.75

N + NO => N2 + O -313.75

Plus 12 ion-neutral CPH reactions

Heating Rate Approach (WACCM)Heating Rate Approach (WACCM)

WACCM3 SW WACCM3 SW LUT/Parm. 121-LUT/Parm. 121-750nm750nm(Thermal+CPH-AG)(Thermal+CPH-AG)

CAM3 SW Heating, CAM3 SW Heating, >200nm (O>200nm (O33, O, O22, , HH22O)O)










Next Major Chemistry UpdatesNext Major Chemistry UpdatesTopicTopic ContactContact Action/CommentsAction/Comments Completion Completion

DateDate

MechanismMechanism D. KinnisonD. Kinnison

J. Orlando, J. Orlando, J.F. J.F. Lamarque,Lamarque,

R. R. SalawitchSalawitch

•Add Halon 2402 to Middle Add Halon 2402 to Middle Atmosphere Atmosphere

•Implement a Whole Atm Implement a Whole Atm Mechanism (w/NMHC’s; will Mechanism (w/NMHC’s; will not include short-lived not include short-lived Org-Br)Org-Br)

•Add Short-lived Org Bromine Add Short-lived Org Bromine speciesspecies

• Fall 2007Fall 2007

Gas-phase Gas-phase ReactionsReactions

D. KinnisonD. Kinnison • Update to JPL06Update to JPL06 • Fall 2007Fall 2007

Photolysis Photolysis D. KinnisonD. Kinnison

S. WaltersS. Walters•Update to JPL06Update to JPL06

•JClJCl22OO22 cross sections? cross sections?

•Add temperature dependence Add temperature dependence to wavelengths < 200nm.to wavelengths < 200nm.

•Extend reference atmosphere Extend reference atmosphere profile in STUV (>140km)profile in STUV (>140km)

•Speed up? Reduce memory Speed up? Reduce memory imprint?imprint?

•Photochemical Benchmark.Photochemical Benchmark.

•Fall 2007Fall 2007

Bromine Chemistry…Bromine Chemistry…

Chapter 2, WMO, 2007Chapter 2, WMO, 2007

32N


DateDate

MechanismMechanism D. KinnisonD. Kinnison

J. Orlando, J. Orlando, J.F. J.F. Lamarque,Lamarque,


•Add Halon 2402 to Middle Add Halon 2402 to Middle Atmosphere Atmosphere

•Implement a Whole Atm Implement a Whole Atm Mechanism (w/NMHC’s; will Mechanism (w/NMHC’s; will not include short-lived not include short-lived Org-Br)Org-Br)

•Add Short-lived Org Bromine Add Short-lived Org Bromine speciesspecies

• Fall 2007Fall 2007

Gas-phase Gas-phase ReactionsReactions

D. KinnisonD. Kinnison • Update to JPL06Update to JPL06 • Fall 2007Fall 2007

Photolysis Photolysis D. KinnisonD. Kinnison

S. WaltersS. Walters•Update to JPL06Update to JPL06

•JClJCl22OO22 cross sections? cross sections?

•Add temperature dependence Add temperature dependence to wavelengths < 200nm.to wavelengths < 200nm.

•Extend reference atmosphere Extend reference atmosphere profile in STUV (>140km)profile in STUV (>140km)

•Speed up? Reduce memory Speed up? Reduce memory imprint?imprint?

•Photochemical Benchmark.Photochemical Benchmark.

•Fall 2007Fall 2007


DateDate

Lower Lower Boundary Boundary ConditionCondition

D. KinnisonD. Kinnison

S. WaltersS. Walters•Use finer temporal Use finer temporal resolution observations for resolution observations for REF1; Get from SPARC CCMValREF1; Get from SPARC CCMVal

•Summer Summer 20072007

Update Update Sulfate Sulfate SADSAD


S. TilmesS. Tilmes

A. A. GettelmanGettelman

•Update to SPARC SAD data; Update to SPARC SAD data; better in polar regionbetter in polar region

•Derive Heating rates from Derive Heating rates from SADSAD

•DoneDone

Evaluate Evaluate Radical Radical ChemistryChemistry



•Use PSS model.Use PSS model.

•Compare Odd-Ox rates to Compare Odd-Ox rates to balloon data.balloon data.

•??

Evaluate Evaluate Polar de-Polar de-NOyNOy

D. D. Kinnison, Kinnison, M. SanteeM. Santee

•Compare denitrification in Compare denitrification in WACCM3 to Aura MLS data. WACCM3 to Aura MLS data.

•Move setting routine out of Move setting routine out of chemistry?chemistry?

•??

StratospheStratosphericTemperaricTemperaturestures

R. Garcia, R. Garcia, F. F. Sassi, Sassi,

J. RichterJ. Richter

•Improvements in Temperature Improvements in Temperature representation in WACCM3representation in WACCM3

•GW TuningGW Tuning

•??

The EndThe End

Documents

WACCM Chemistry Tutorial Doug Kinnison D. Marsh, S. Walters, G. Brasseur, R. Garcia, R. Roble, many more…[email protected] 8 June 2007