3-D chemistry-transport model Polair: numerical issues, validation and automatic-differentiation strategy

Abstract. We briefly present in this short paper some issues related to the development and the validation of the three-dimensional chemistry-transport model Polair. Numerical studies have been performed in order to let Polair be an efficient and robust solver. This paper summarizes and comments choices that were made in this respect. Simulations of relevant photochemical episodes were led to assess the validity of the model. The results can be considered as a validation, which allows next studies to focus on fine modeling issues. A major feature of Polair is the availability of a tangent linear mode and an adjoint mode entirely generated by automatic differentiation. Tangent linear and adjoint modes grant the opportunity to perform detailed sensitivity analyses and data assimilation. This paper shows how inverse modeling is achieved with Polair.

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Technical Note: A new SIze REsolved Aerosol Model (SIREAM)

Atmospheric Chemistry and Physics ◽

10.5194/acp-7-1537-2007 ◽

2007 ◽

Vol 7 (6) ◽

pp. 1537-1547 ◽

Cited By ~ 79

Author(s):

E. Debry ◽

K. Fahey ◽

K. Sartelet ◽

B. Sportisse ◽

M. Tombette

Keyword(s):

Size Distribution ◽

Transport Model ◽

Three Dimensional ◽

Technical Note ◽

Aerosol Size Distribution ◽

Short Paper ◽

Chemistry Transport Model ◽

Dynamical Mass ◽

Aerosol Model ◽

Transfer Method

Abstract. We briefly present in this short paper a new SIze REsolved Aerosol Model (SIREAM) which simulates the evolution of atmospheric aerosol by solving the General Dynamic Equation (GDE). SIREAM segregates the aerosol size distribution into sections and solves the GDE by splitting coagulation and condensation/evaporation-nucleation. A quasi-stationary sectional approach is used to describe the size distribution change due to condensation/evaporation, and a hybrid equilibrium/dynamical mass-transfer method has been developed to lower the computational burden. SIREAM uses the same physical parameterizations as those used in the Modal Aerosol Model, MAM Sartelet et al. (2006). It is hosted in the modeling system Polyphemus Mallet et al., 2007, but can be linked to any other three-dimensional Chemistry-Transport Model.

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Technical Note: A new SIze REsolved Aerosol Model (SIREAM)

Atmospheric Chemistry and Physics Discussions ◽

10.5194/acpd-6-11845-2006 ◽

2006 ◽

Vol 6 (6) ◽

pp. 11845-11875 ◽

Cited By ~ 2

Author(s):

E. Debry ◽

K. Fahey ◽

K. Sartelet ◽

B. Sportisse ◽

M. Tombette

Keyword(s):

Size Distribution ◽

Atmospheric Aerosol ◽

Transport Model ◽

Three Dimensional ◽

Technical Note ◽

Aerosol Size Distribution ◽

Short Paper ◽

Chemistry Transport Model ◽

Aerosol Model ◽

General Dynamic

Abstract. We briefly present in this short paper a new SIze REsolved Aerosol Model (SIREAM) which simulates the evolution of atmospheric aerosol by solving the General Dynamic Equation (GDE). SIREAM segregates the aerosol size distribution into sections and solves the GDE by splitting coagulation and condensation/evaporation. A moving sectional approach is used to describe the size distribution change due to condensation/evaporation and a hybrid method has been developed to lower the computational burden. SIREAM uses the same physical parameterizations as those used in the Modal Aerosol Model, MAM sartelet05development. It is hosted in the modeling system POLYPHEMUS (Mallet et al., 2006) but can be linked to any other three-dimensional Chemistry-Transport Model.

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Impacts of NOxemissions from subsonic aircraft in a global three-dimensional chemistry transport model including plume processes

Journal of Geophysical Research Atmospheres ◽

10.1029/2001jd001019 ◽

2002 ◽

Vol 107 (D22) ◽

Cited By ~ 36

Author(s):

Anne Gunn Kraabøl

Keyword(s):

Transport Model ◽

Three Dimensional ◽

Chemistry Transport Model

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Description and evaluation of a detailed gas-phase chemistry scheme in the TM5-MP global chemistry transport model (r112)

10.5194/gmd-2020-110 ◽

2020 ◽

Cited By ~ 1

Author(s):

Stelios Myriokefalitakis ◽

Nikos Daskalakis ◽

Angelos Gkouvousis ◽

Andreas Hilboll ◽

Twan van Noije ◽

...

Keyword(s):

Gas Phase ◽

Transport Model ◽

Vertical Mixing ◽

Three Dimensional ◽

Chemical Mechanism ◽

Aerosol Formation ◽

Chemistry Transport Model ◽

Mixing Ratios ◽

Time Requirements ◽

Phase Chemistry

Abstract. This work documents and evaluates the tropospheric gas-phase chemical mechanism MOGUNTIA in the three-dimensional chemistry transport model TM5-MP. Compared to the modified CB05 chemical mechanism previously used in the model, the MOGUNTIA includes a detailed representation of the light hydrocarbons (C1-C4) and isoprene, along with a simplified chemistry representation of terpenes and aromatics. Another feature implemented in TM5-MP for this work is the use of the Rosenbrock solver in the chemistry code, which can replace the classical Euler Backward Integration method of the model. Global budgets of ozone (O3), carbon monoxide (CO), hydroxyl radicals (OH), nitrogen oxides (NOX) and volatile organic compounds (VOCs) are here analyzed and their mixing ratios are compared with a series of surface, aircraft and satellite observations for the year 2006. Both mechanisms appear to be able to represent satisfactorily observed mixing ratios of important trace gases, with the MOGUNTIA chemistry configuration yielding lower biases compared to measurements in most of the cases. However, the two chemical mechanisms fail to reproduce the observed mixing ratios of light VOCs, indicating insufficient primary emission source strengths, too weak vertical mixing in the boundary layer, and/or a low bias in the secondary contribution of C2-C3 organics via VOC atmospheric oxidation. Relative computational memory and time requirements of the different model configurations are also compared and discussed. Overall, compared to other chemistry schemes in use in global CTMs, the MOGUNTIA scheme simulates a large suite of oxygenated VOCs that are observed in the atmosphere at significant levels and are involved in aerosol formation, expanding, thus, the applications of TM5-MP.

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Assimilation of Odin/SMR O3and N2O measurements in a three-dimensional chemistry transport model

Journal of Geophysical Research Atmospheres ◽

10.1029/2004jd004796 ◽

2004 ◽

Vol 109 (D22) ◽

pp. n/a-n/a ◽

Cited By ~ 19

Author(s):

L. El Amraoui ◽

P. Ricaud ◽

J. Urban ◽

B. Théodore ◽

A. Hauchecorne ◽

...

Keyword(s):

Transport Model ◽

Three Dimensional ◽

Chemistry Transport Model

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Three-dimensional model evaluation of the Ozone Depletion Potentials for n-propyl bromide, trichloroethylene and perchloroethylene

Atmospheric Chemistry and Physics ◽

10.5194/acp-11-2371-2011 ◽

2011 ◽

Vol 11 (5) ◽

pp. 2371-2380 ◽

Cited By ~ 15

Author(s):

D. J. Wuebbles ◽

K. O. Patten ◽

D. Wang ◽

D. Youn ◽

M. Martínez-Avilés ◽

...

Keyword(s):

Atmospheric Chemistry ◽

Ozone Depletion ◽

Transport Model ◽

Stratospheric Ozone ◽

Three Dimensional ◽

Past Study ◽

Three Dimensional Model ◽

Chemistry Transport Model ◽

Land Surfaces ◽

Simplified Modeling

Abstract. The existing solvents trichloroethylene (TCE) and perchloroethylene (PCE) and proposed solvent n-propyl bromide (nPB) have atmospheric lifetimes from days to a few months, but contain chlorine or bromine that could affect stratospheric ozone. Several previous studies estimated the Ozone Depletion Potentials (ODPs) for various assumptions of nPB emissions location, but these studies used simplified modeling treatments. The primary purpose of this study is to reevaluate the ODP for n-propyl bromide (nPB) using a current-generation chemistry-transport model of the troposphere and stratosphere. For the first time, ODPs for TCE and PCE are also evaluated in a three-dimensional, global atmospheric chemistry-transport model. Emissions representing industrial use of each compound are incorporated on land surfaces from 30° N to 60° N. The atmospheric chemical lifetime obtained for nPB is 24.7 days, similar to past literature, but the ODP is 0.0049, lower than in our past study of nPB. The derived atmospheric lifetime for TCE is 13.0 days and for PCE is 111 days. The corresponding ODPs are 0.00037 and 0.0050, respectively.

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Three-dimensional model evaluation of the Ozone Depletion Potentials for n-propyl bromide, trichloroethylene and perchloroethylene

Atmospheric Chemistry and Physics Discussions ◽

10.5194/acpd-10-17889-2010 ◽

2010 ◽

Vol 10 (7) ◽

pp. 17889-17910 ◽

Cited By ~ 3

Author(s):

D. J. Wuebbles ◽

K. O. Patten ◽

D. Wang ◽

D. Youn ◽

M. Martínez-Avilés ◽

...

Keyword(s):

Ozone Depletion ◽

Transport Model ◽

Stratospheric Ozone ◽

Three Dimensional ◽

Three Dimensional Model ◽

Chemistry Transport Model ◽

Atmospheric Lifetime ◽

Land Surfaces ◽

Simplified Modeling ◽

First Time

Abstract. The existing solvents trichloroethylene (TCE) and perchloroethylene (PCE) and proposed solvent n-propyl bromide (nPB) have atmospheric lifetimes from days to a few months, but contain chlorine or bromine that could affect stratospheric ozone. Several previous studies estimated the Ozone Depletion Potentials (ODPs) for various assumptions for location of nPB emissions, but these studies used simplified modeling treatments. The primary purpose of this study is to reevaluate the ODP for nPB using a current-generation chemistry-transport model of the troposphere and stratosphere. For the first time, ODPs for TCE and PCE are also evaluated. Emissions representing industrial use of each compound are incorporated on land surfaces from 30° N to 60° N. The atmospheric chemical lifetime obtained for nPB is 24.7 days, similar to past literature, but the ODP is 0.0049, lower than in past studies. The derived atmospheric lifetime for TCE is 13.0 days and for PCE is 111 days. The corresponding ODPs are 0.00035 and 0.0060, respectively.

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Modelling the impacts of aircraft traffic on the chemical composition of the upper troposphere

Proceedings of the Institution of Mechanical Engineers Part G Journal of Aerospace Engineering ◽

10.1243/095441003770887340 ◽

2003 ◽

Vol 217 (5) ◽

pp. 237-243 ◽

Cited By ~ 1

Author(s):

C Giannakopoulos ◽

P Good ◽

K S Law ◽

D E Shallcross ◽

K-Y Wang

Keyword(s):

Chemical Composition ◽

Transport Model ◽

Three Dimensional ◽

Grid Cell ◽

Temporal Variations ◽

Chemistry Transport Model ◽

Mean Values ◽

Upper Troposphere ◽

Local Perturbations ◽

Cent Increase

A three-dimensional chemistry-transport model has been used to assess the impacts of aircraft traffic in the upper troposphere. Aircraft engines emit NOx, which has the potential to perturb the chemical composition at the flight altitude paths, i.e. at a 10–12 km height for subsonic flights. The model used includes a comprehensive chemistry scheme, so perturbations to other species apart from NOx could also be examined. More specifically, the model showed that the monthly mean increase for NOx due to aircraft is around 60 pptv (parts per trillion volume (30 per cent increase) and for HNO3 it is 100 pptv (30 per cent increase). Consequently, O3 is enhanced by 2500 pptv (5 per cent increase) due to aircraft traffic. To assess the regional and temporal variations in the perturbations, a time series analysis above a central European grid cell located at 47 °N 18 °E has also been performed. The analysis has indicated that the local perturbations can be much larger than the monthly mean values and can reach 200 pptv for NOx, 150 pptv for HNO3 and 5000 pptv for O3.

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