scholarly journals ASIS v1.0: an adaptive solver for the simulation of atmospheric chemistry

2017 ◽  
Vol 10 (4) ◽  
pp. 1467-1485 ◽  
Author(s):  
Daniel Cariolle ◽  
Philippe Moinat ◽  
Hubert Teyssèdre ◽  
Luc Giraud ◽  
Béatrice Josse ◽  
...  
Keyword(s):  
Atmospheric Chemistry ◽  
General Circulation ◽  
Transport Model ◽  
Circulation Model ◽  
Implicit Scheme ◽  
Chemical Transport Model ◽  
Time Stepping ◽  
Implicit Solvers ◽  
One Step ◽  
Phase Chemistry

Abstract. This article reports on the development and tests of the adaptive semi-implicit scheme (ASIS) solver for the simulation of atmospheric chemistry. To solve the ordinary differential equation systems associated with the time evolution of the species concentrations, ASIS adopts a one-step linearized implicit scheme with specific treatments of the Jacobian of the chemical fluxes. It conserves mass and has a time-stepping module to control the accuracy of the numerical solution. In idealized box-model simulations, ASIS gives results similar to the higher-order implicit schemes derived from the Rosenbrock's and Gear's methods and requires less computation and run time at the moderate precision required for atmospheric applications. When implemented in the MOCAGE chemical transport model and the Laboratoire de Météorologie Dynamique Mars general circulation model, the ASIS solver performs well and reveals weaknesses and limitations of the original semi-implicit solvers used by these two models. ASIS can be easily adapted to various chemical schemes and further developments are foreseen to increase its computational efficiency, and to include the computation of the concentrations of the species in aqueous-phase in addition to gas-phase chemistry.

scholarly journals ASIS v1.0: an adaptative solver for the simulation of atmospheric chemistry

2016 ◽  
Author(s):  
Daniel Cariolle ◽  
Philippe Moinat ◽  
Hubert Teyssèdre ◽  
Luc Giraud ◽  
Béatrice Josse ◽  
...  
Keyword(s):  
Gas Phase ◽  
Atmospheric Chemistry ◽  
Implicit Scheme ◽  
Gas Phase Chemistry ◽  
Time Stepping ◽  
Implicit Schemes ◽  
Implicit Solvers ◽  
One Step ◽  
Phase Chemistry ◽  
Ordinary Differential Equation Systems

Abstract. This article reports on the development and tests of the Adaptative Semi-Implicit Scheme (ASIS) solver for the simulation of atmospheric chemistry. To solve the Ordinary Differential Equation systems associated with the time evolution of the species concentrations, ASIS adopts a one step linearized implicit scheme with specific treatments of the Jacobian of the chemical fluxes. It conserves mass and has a time stepping module to control the accuracy of the numerical solution. In idealized box model simulations ASIS gives results similar to the higher order implicit schemes derived from the Rosenbrock's and Gear's methods. When implemented in the MOCAGE CTM and the LMD Mars GCM the ASIS solver performs well and reveals weaknesses and limitations of the original semi-implicit solvers used by these two models. ASIS can be easily adapted to various chemical schemes and further developments are foreseen to increase its computational efficiency, and to include the computation of the concentrations of the species in aqueous phase in addition to gas phase chemistry.

scholarly journals Meteorological modes of variability for fine particulate matter (PM2.5) air quality in the United States: implications for PM2.5 sensitivity to climate change

2012 ◽  
Vol 12 (6) ◽  
pp. 3131-3145 ◽  
Author(s):  
A. P. K. Tai ◽  
L. J. Mickley ◽  
D. J. Jacob ◽  
E. M. Leibensperger ◽  
L. Zhang ◽  
...  
Keyword(s):  
Climate Change ◽  
General Circulation ◽  
Transport Model ◽  
Circulation Model ◽  
Multiple Linear Regression Model ◽  
The United States ◽  
Chemical Transport Model ◽  
Modes Of Variability ◽  
The Us ◽  
Cyclone Frequency

Abstract. We applied a multiple linear regression model to understand the relationships of PM2.5 with meteorological variables in the contiguous US and from there to infer the sensitivity of PM2.5 to climate change. We used 2004–2008 PM2.5 observations from ~1000 sites (~200 sites for PM2.5 components) and compared to results from the GEOS-Chem chemical transport model (CTM). All data were deseasonalized to focus on synoptic-scale correlations. We find strong positive correlations of PM2.5 components with temperature in most of the US, except for nitrate in the Southeast where the correlation is negative. Relative humidity (RH) is generally positively correlated with sulfate and nitrate but negatively correlated with organic carbon. GEOS-Chem results indicate that most of the correlations of PM2.5 with temperature and RH do not arise from direct dependence but from covariation with synoptic transport. We applied principal component analysis and regression to identify the dominant meteorological modes controlling PM2.5 variability, and show that 20–40% of the observed PM2.5 day-to-day variability can be explained by a single dominant meteorological mode: cold frontal passages in the eastern US and maritime inflow in the West. These and other synoptic transport modes drive most of the overall correlations of PM2.5 with temperature and RH except in the Southeast. We show that interannual variability of PM2.5 in the US Midwest is strongly correlated with cyclone frequency as diagnosed from a spectral-autoregressive analysis of the dominant meteorological mode. An ensemble of five realizations of 1996–2050 climate change with the GISS general circulation model (GCM) using the same climate forcings shows inconsistent trends in cyclone frequency over the Midwest (including in sign), with a likely decrease in cyclone frequency implying an increase in PM2.5. Our results demonstrate the need for multiple GCM realizations (because of climate chaos) when diagnosing the effect of climate change on PM2.5, and suggest that analysis of meteorological modes of variability provides a computationally more affordable approach for this purpose than coupled GCM-CTM studies.

scholarly journals Development of the global atmospheric chemistry general circulation model BCC-GEOS-Chem v1.0: model description and evaluation

2020 ◽  
Vol 13 (9) ◽  
pp. 3817-3838
Author(s):  
Xiao Lu ◽  
Lin Zhang ◽  
Tongwen Wu ◽  
Michael S. Long ◽  
Jun Wang ◽  
...  
Keyword(s):  
General Circulation Model ◽  
Atmospheric Chemistry ◽  
Tropospheric Ozone ◽  
General Circulation ◽  
Climate Models ◽  
Transport Model ◽  
Stratospheric Ozone ◽  
Circulation Model ◽  
Satellite Observations ◽  
Model Description

Abstract. Chemistry plays an indispensable role in investigations of the atmosphere; however, many climate models either ignore or greatly simplify atmospheric chemistry, limiting both their accuracy and their scope. We present the development and evaluation of the online global atmospheric chemical model BCC-GEOS-Chem v1.0, coupling the GEOS-Chem chemical transport model (CTM) as an atmospheric chemistry component in the Beijing Climate Center atmospheric general circulation model (BCC-AGCM). The GEOS-Chem atmospheric chemistry component includes detailed tropospheric HOx–NOx–volatile organic compounds–ozone–bromine–aerosol chemistry and online dry and wet deposition schemes. We then demonstrate the new capabilities of BCC-GEOS-Chem v1.0 relative to the base BCC-AGCM model through a 3-year (2012–2014) simulation with anthropogenic emissions from the Community Emissions Data System (CEDS) used in the Coupled Model Intercomparison Project Phase 6 (CMIP6). The model captures well the spatial distributions and seasonal variations in tropospheric ozone, with seasonal mean biases of 0.4–2.2 ppbv at 700–400 hPa compared to satellite observations and within 10 ppbv at the surface to 500 hPa compared to global ozonesonde observations. The model has larger high-ozone biases over the tropics which we attribute to an overestimate of ozone chemical production. It underestimates ozone in the upper troposphere which is likely due either to the use of a simplified stratospheric ozone scheme or to biases in estimated stratosphere–troposphere exchange dynamics. The model diagnoses the global tropospheric ozone burden, OH concentration, and methane chemical lifetime to be 336 Tg, 1.16×106 molecule cm−3, and 8.3 years, respectively, which is consistent with recent multimodel assessments. The spatiotemporal distributions of NO2, CO, SO2, CH2O, and aerosol optical depth are generally in agreement with satellite observations. The development of BCC-GEOS-Chem v1.0 represents an important step for the development of fully coupled earth system models (ESMs) in China.

Predictability of Total Ozone Using a Global Three-Dimensional Chemical Transport Model Coupled with the MRI/JMA98 GCM

2005 ◽  
Vol 133 (8) ◽  
pp. 2262-2274 ◽  
Author(s):  
T. T. Sekiyama ◽  
K. Shibata
Keyword(s):  
Total Ozone ◽  
General Circulation ◽  
Transport Model ◽  
Three Dimensional ◽  
Circulation Model ◽  
Chemical Transport ◽  
Japan Meteorological Agency ◽  
High Latitudes ◽  
Chemical Transport Model ◽  
Mean Square Errors

Abstract A global three-dimensional chemical transport model is being developed for forecasting total ozone. The model includes detailed stratospheric chemistry and transport and couples with a dynamical module of the Meteorological Research Institute/Japan Meteorological Agency 1998 (MRI/JMA98) general circulation model, which can yield realistic atmospheric fields through a meteorological assimilation system. Its predictability on total ozone is investigated for up to 4 weeks from 1997 to 2000. Global root-mean-square errors (rmses) of a control run are approximately 10 DU (3% of total ozone) throughout a year; the control run results are used as initial values for hindcast experiments. Rmses of the hindcast experiments globally range from 10 to 30 DU. The anomaly correlation between the 5-day forecasts and satellite measurements is approximately 0.6 throughout a year in the mid- and high latitudes of both the Northern and Southern Hemispheres. Thus, the model has potential for utilization on total ozone forecasts up to 5 days. In the northern mid- and high latitudes, the model produces better total ozone forecasts than the persistence up to 2 weeks, indicating that the deterministic limit of the total ozone forecasts is durationally comparable to that of weather forecasts. Good correlations between changes in total ozone and 100-hPa geopotential height reveal that the predictability of the dynamical field in the lower stratosphere critically affects the predictability of total ozone.

scholarly journals GCAP 2.0: A global 3-D chemical-transport model framework for past, present, and future climate scenarios

2021 ◽  
Author(s):  
Lee Thomas Murray ◽  
Eric M. Leibensperger ◽  
Clara Orbe ◽  
Loretta J. Mickley ◽  
Melissa Sulprizio
Keyword(s):  
General Circulation ◽  
Transport Model ◽  
Coupled Model ◽  
Circulation Model ◽  
Chemical Transport ◽  
Recent Past ◽  
Chemical Transport Model ◽  
Model Framework ◽  
Intercomparison Project ◽  
Goddard Institute

Abstract. This manuscript describes version 2.0 of the Global Change and Air Pollution (GCAP 2.0) model framework, a one-way offline coupling between version E2.1 of the NASA Goddard Institute for Space Studies (GISS) general circulation model (GCM) and the GEOS-Chem global 3-D chemical-transport model (CTM). Meteorology for driving GEOS-Chem has been archived from the E2.1 contributions to Phase 6 of the Coupled Model Intercomparison Project (CMIP6) for the preindustrial and recent past. In addition, meteorology is available for the near future and end-of-the century for seven future scenarios ranging from extreme mitigation to extreme warming. Emissions and boundary conditions have been prepared for input to GEOS-Chem that are consistent with the CMIP6 experimental design. The model meteorology, emissions, transport and chemistry are evaluated in the recent past and found to be largely consistent with GEOS-Chem driven by the Modern-Era Retrospective analysis for Research and Applications Version 2 (MERRA-2) product and with observational constraints.

scholarly journals Projected effect of 2000–2050 changes in climate and emissions on aerosol levels in China and associated transboundary transport

2013 ◽  
Vol 13 (3) ◽  
pp. 6501-6551
Author(s):  
H. Jiang ◽  
H. Liao ◽  
H. O. T. Pye ◽  
S. Wu ◽  
L. J. Mickley ◽  
...  
Keyword(s):  
Climate Change ◽  
South Asia ◽  
General Circulation ◽  
Transport Model ◽  
Large Fraction ◽  
Eastern China ◽  
Circulation Model ◽  
Western China ◽  
Valuable Insight ◽  
Chemical Transport Model

Abstract. We investigate the 2000–2050 changes in concentrations of aerosols in China and the associated transboundary aerosol transport by using the chemical transport model GEOS-Chem driven by the Goddard Institute for Space Studies (GISS) general circulation model (GCM) 3 at 4° × 5° resolution. Future changes in climate and emissions projected by the IPCC A1B scenario are imposed separately and together through sensitivity simulations. Accounting for sulfate, nitrate, ammonium, black carbon (BC), and organic carbon (OC) aerosols, concentrations of individual aerosol species change by −2.3 to +1.7 μg m−3 and PM2.5 levels are projected to change by about 10–20% in eastern China as a result of 2000–2050 change in climate alone. With future changes in anthropogenic emissions alone, concentrations of sulfate, BC, and OC are simulated to decrease because of reductions in emissions, and those of nitrate are predicted to increase because of higher NOx emissions combined with decreases in sulfate. The net result is a reduction of seasonal mean PM2.5 concentrations in eastern China by 2–9.5 μg m−3 (or 10–30%) over 2000–2050. It is noted that current emission inventories for BC and OC over China are found to be inadequate at present. Transboundary fluxes of different aerosol species show different sensitivities to future changes in climate and emissions. The annual outflow of PM2.5 from eastern China to the western Pacific is estimated to change by −6.0%, −1.5%, and −9.0% over 2000–2050 owing to climate change alone, changes in emissions alone, and changes in both climate and emissions, respectively. The fluxes of nitrate and ammonium aerosols from Europe and Central Asia into western China increase over 2000–2050 by changes in emissions, leading to a 15% increase in annual inflow of PM2.5 to western China with future changes in both emissions and climate. Fluxes of BC and OC from South Asia to China in spring contribute to a large fraction of the annual inflow of PM2.5. The annual inflow of PM2.5 from South Asia and Southeast Asia to China is estimated to change by −55%, +133%, and +63% over 2000–2050 owing to climate change alone, changes in emissions alone, and changes in both climate and emissions, respectively. While the 4° × 5° spatial resolution is a limitation of the present study, the direction of predicted changes in aerosol levels and transboundary fluxes still provides valuable insight into future air quality.

scholarly journals Global cloud and precipitation chemistry and wet deposition: tropospheric model simulations with ECHAM5/MESSy1

2007 ◽  
Vol 7 (10) ◽  
pp. 2733-2757 ◽  
Author(s):  
H. Tost ◽  
P. Jöckel ◽  
A. Kerkweg ◽  
A. Pozzer ◽  
R. Sander ◽  
...  
Keyword(s):  
Atmospheric Chemistry ◽  
Wet Deposition ◽  
General Circulation ◽  
Regional Scale ◽  
Circulation Model ◽  
Precipitation Chemistry ◽  
Global Scale ◽  
Box Models ◽  
Trace Constituents ◽  
Phase Chemistry

Abstract. The representation of cloud and precipitation chemistry and subsequent wet deposition of trace constituents in global atmospheric chemistry models is associated with large uncertainties. To improve the simulated trace gas distributions we apply the new submodel SCAV, which includes detailed cloud and precipitation chemistry and present results of the atmospheric chemistry general circulation model ECHAM5/MESSy1. A good agreement with observed wet deposition fluxes for species causing acid rain is obtained. The new scheme enables prognostic calculations of the pH of clouds and precipitation, and these results are also in accordance with observations. We address the influence of detailed cloud and precipitation chemistry on trace constituents based on sensitivity simulations. The results confirm previous results from regional scale and box models, and we extend the analysis to the role of aqueous phase chemistry on the global scale. Some species are directly affected through multiphase removal processes, and many also indirectly through changes in oxidant concentrations, which in turn have an impact on the species lifetime. While the overall effect on tropospheric ozone is relatively small (<10%), regional effects on O3 can reach ≈20%, and several important compounds (e.g., H2O2, HCHO) are substantially depleted by clouds and precipitation.

scholarly journals Technical note: The new comprehensive atmospheric chemistry module MECCA

2005 ◽  
Vol 5 (2) ◽  
pp. 445-450 ◽  
Author(s):  
R. Sander ◽  
A. Kerkweg ◽  
P. Jöckel ◽  
J. Lelieveld
Keyword(s):  
Atmospheric Chemistry ◽  
General Circulation ◽  
Circulation Model ◽  
Technical Note ◽  
Heterogeneous Reactions ◽  
Chemical Mechanism ◽  
Sulfur Chemistry ◽  
Gas Phase Chemistry ◽  
Phase Chemistry ◽  
Atmospheric Reaction

Abstract. In this technical note we present the multi-purpose atmospheric chemistry model MECCA. Owing to its versatility and modular structure, it can be used for tropospheric as well as stratospheric chemistry calculations. Extending the code to other domains (e.g. mesospheric or oceanic chemistry) is easily possible. MECCA contains a comprehensive atmospheric reaction mechanism that currently includes: 1) the basic O3, CH4, HOx, and NOx chemistry, 2) non-methane hydrocarbon (NMHC) chemistry, 3) halogen (Cl, Br, I) chemistry, and 4) sulfur chemistry. Not only gas-phase chemistry but also aqueous-phase and heterogeneous reactions are considered. Arbitrary subsets of the comprehensive mechanism can be selected according to the research objectives. The program code resulting from the chemical mechanism can easily be used in any model, from a simple box model to a comprehensive global general circulation model.

scholarly journals Local-time Dependence of Chemical Species in the Venusian Mesosphere

2022 ◽  
Vol 3 (1) ◽  
pp. 3
Author(s):  
Wencheng D. Shao ◽  
Xi Zhang ◽  
João Mendonça ◽  
Thérèse Encrenaz
Keyword(s):  
Local Time ◽  
General Circulation ◽  
Transport Model ◽  
Three Dimensional ◽  
Chemical Species ◽  
Circulation Model ◽  
Chemical Transport Model ◽  
Local Maxima ◽  
Time Patterns ◽  
Time Variations

Abstract Observed chemical species in the Venusian mesosphere show local-time variabilities. SO2 at the cloud top exhibits two local maxima over local time, H2O at the cloud top is uniformly distributed, and CO in the upper atmosphere shows a statistical difference between the two terminators. In this study, we investigated these local-time variabilities using a three-dimensional (3D) general circulation model (GCM) in combination with a two-dimensional (2D) chemical transport model (CTM). Our simulation results agree with the observed local-time patterns of SO2, H2O, and CO. The two-maximum pattern of SO2 at the cloud top is caused by the superposition of the semidiurnal thermal tide and the retrograde superrotating zonal (RSZ) flow. SO2 above 85 km shows a large day–night difference resulting from both photochemistry and the subsolar-to-antisolar (SS-AS) circulation. The transition from the RSZ flows to SS-AS circulation can explain the CO difference between two terminators and the displacement of the CO local-time maximum with respect to the antisolar point. H2O is long-lived and exhibits very uniform distribution over space. We also present the local-time variations of HCl, ClO, OCS, and SO simulated by our model and compare to the sparse observations of these species. This study highlights the importance of multidimensional CTMs for understanding the interaction between chemistry and dynamics in the Venusian mesosphere.

scholarly journals GCAP 2.0: a global 3-D chemical-transport model framework for past, present, and future climate scenarios

2021 ◽  
Vol 14 (9) ◽  
pp. 5789-5823
Author(s):  
Lee T. Murray ◽  
Eric M. Leibensperger ◽  
Clara Orbe ◽  
Loretta J. Mickley ◽  
Melissa Sulprizio
Keyword(s):  
General Circulation ◽  
Transport Model ◽  
Coupled Model ◽  
Circulation Model ◽  
Chemical Transport ◽  
Recent Past ◽  
Chemical Transport Model ◽  
Model Framework ◽  
Intercomparison Project ◽  
Goddard Institute

Abstract. This paper describes version 2.0 of the Global Change and Air Pollution (GCAP 2.0) model framework, a one-way offline coupling between version E2.1 of the NASA Goddard Institute for Space Studies (GISS) general circulation model (GCM) and the GEOS-Chem global 3-D chemical-transport model (CTM). Meteorology for driving GEOS-Chem has been archived from the E2.1 contributions to phase 6 of the Coupled Model Intercomparison Project (CMIP6) for the pre-industrial era and the recent past. In addition, meteorology is available for the near future and end of the century for seven future scenarios ranging from extreme mitigation to extreme warming. Emissions and boundary conditions have been prepared for input to GEOS-Chem that are consistent with the CMIP6 experimental design. The model meteorology, emissions, transport, and chemistry are evaluated in the recent past and found to be largely consistent with GEOS-Chem driven by the Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2) product and with observational constraints.

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