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TM4/TM5 chemical mechanisms under the 1D “microscope” Nikos Daskalakis Environmental Chemical Process Laboratory, Department of Chemistry, University of Crete. Meteorology and Air Quality Group, Wageningen University. April 25, 2013

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$Page 1: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM4/TM5 chemical mechanisms under the 1D

“microscope”

Nikos Daskalakis

Environmental Chemical Process Laboratory,Department of Chemistry, University of Crete.

Meteorology and Air Quality Group,Wageningen University.

April 25, 2013

$Page 2: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 3: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 4: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 5: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 6: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 7: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 8: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 9: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Introduction

Different chemical schemes in the model

3 different in TM5, 2 different in TM4

Need for evaluation of different rates/schemes

Impact of the update of rates

Easy to use, fast, representative

Review chemistry over height

Use of single column model

WUSCM coupled with KPP for chemistry.

$Page 10: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM4 IUPAC vs JPL — O3

$Page 11: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM4 IUPAC vs JPL — CO

$Page 12: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM4 IUPAC vs JPL — Isoprene

$Page 13: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM5 old vs new — O3

$Page 14: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM5 old vs new — CO

$Page 15: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM5 old vs new — Isoprene

$Page 16: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM5 vs CBM5 — O3

$Page 17: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM5 vs CBM5 — CO

$Page 18: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

TM5 vs CBM5 — Isoprene

$Page 19: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — O3

$Page 20: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — CO

$Page 21: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — OH

$Page 22: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — HO2

$Page 23: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — NO

$Page 24: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — NO2

$Page 25: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — CH4

$Page 26: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

All mechanisms — Isoprene

$Page 27: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Conclusions

Use of the single column model gives a good, fast validation

Easy to discover mistakes, correct them, re-evaluate

More information than the 0D model (height)

$Page 28: TM4/TM5 chemical mechanisms under the 1D ``microscope'' · TM4/TM5 chemical mechanisms under the 1D \microscope" Nikos Daskalakis Environmental Chemical Process Laboratory, Department$

Thank you!!!

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