Articles | Volume 14, issue 8
https://doi.org/10.5194/gmd-14-5001-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/gmd-14-5001-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
iNRACM: incorporating 15N into the Regional Atmospheric Chemistry Mechanism (RACM) for assessing the role photochemistry plays in controlling the isotopic composition of NOx, NOy, and atmospheric nitrate
Huan Fang
Department of Earth, Atmospheric, and Planetary Sciences, Purdue University, West Lafayette, IN, USA
Wendell W. Walters
Institute for Environment and Society, Brown University, Providence RI, USA
David Mase
Department of Earth, Atmospheric, and Planetary Sciences, Purdue University, West Lafayette, IN, USA
Department of Earth, Atmospheric, and Planetary Sciences, Purdue University, West Lafayette, IN, USA
Department of Chemistry, Purdue University, West Lafayette, IN, USA
Related authors
Huan Fang and Greg Michalski
Geosci. Model Dev., 15, 4239–4258, https://doi.org/10.5194/gmd-15-4239-2022, https://doi.org/10.5194/gmd-15-4239-2022, 2022
Short summary
Short summary
A new emission input dataset that incorporates nitrogen isotopes has been used in the CMAQ (Community Multiscale Air Quality) modeling system simulation to qualitatively analyze the changes in δ15N values, due to the dispersion, mixing, and transport of the atmospheric NOx emitted from different sources. The dispersion, mixing, and transport of the atmospheric NOx were based on the meteorology files generated from the WRF (Weather Research and Forecasting) model.
Huan Fang and Greg Michalski
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2020-322, https://doi.org/10.5194/gmd-2020-322, 2020
Publication in GMD not foreseen
Short summary
Short summary
A new emission input dataset that incorporates nitrogen isotopes has been developed to simulate isotope tracers in air pollution. The NOx emission from different sources simulated by Sparse Matrix Operator Kerner Emissions (SMOKE) were replicated using 15N. The dataset is able to predict δ15N variations in NOx that are similar to those observed in aerosol and gases in the troposphere.
Wendell W. Walters, Masayuki Takeuchi, Nga L. Ng, and Meredith G. Hastings
EGUsphere, https://doi.org/10.5194/egusphere-2023-2293, https://doi.org/10.5194/egusphere-2023-2293, 2023
Short summary
Short summary
The study introduces a novel chemical mechanism for explicitly tracking oxygen isotope transfer in oxidized reactive nitrogen and odd oxygen using the Regional Atmospheric Chemistry Mechanism, version 2. This model enhances our ability to simulate and compare oxygen isotope compositions of reactive nitrogen, revealing insights into oxidation chemistry. The approach shows promise for improving atmospheric chemistry models and tropospheric oxidation capacity predictions.
Claire Bekker, Wendell W. Walters, Lee T. Murray, and Meredith G. Hastings
Atmos. Chem. Phys., 23, 4185–4201, https://doi.org/10.5194/acp-23-4185-2023, https://doi.org/10.5194/acp-23-4185-2023, 2023
Short summary
Short summary
Nitrate is a critical component of the atmosphere that degrades air quality and ecosystem health. We have investigated the nitrogen isotope compositions of nitrate from deposition samples collected across the northeastern United States. Spatiotemporal variability in the nitrogen isotope compositions was found to track with nitrate formation chemistry. Our results highlight that nitrogen isotope compositions may be a robust tool for improving model representation of nitrate chemistry.
Heejeong Kim, Wendell W. Walters, Claire Bekker, Lee T. Murray, and Meredith G. Hastings
Atmos. Chem. Phys., 23, 4203–4219, https://doi.org/10.5194/acp-23-4203-2023, https://doi.org/10.5194/acp-23-4203-2023, 2023
Short summary
Short summary
Atmospheric nitrate has an important impact on human and ecosystem health. We evaluated atmospheric nitrate formation pathways in the northeastern US utilizing oxygen isotope compositions, which indicated a significant difference between the phases of nitrate (i.e., gas vs. particle). Comparing the observations with model simulations indicated that N2O5 hydrolysis chemistry was overpredicted. Our study has important implications for improving atmospheric chemistry model representation.
Wendell W. Walters, Madeline Karod, Emma Willcocks, Bok H. Baek, Danielle E. Blum, and Meredith G. Hastings
Atmos. Chem. Phys., 22, 13431–13448, https://doi.org/10.5194/acp-22-13431-2022, https://doi.org/10.5194/acp-22-13431-2022, 2022
Short summary
Short summary
Atmospheric ammonia and its products are a significant source of urban haze and nitrogen deposition. We have investigated the seasonal source contributions to a mid-sized city in the northeastern US megalopolis utilizing geospatial statistical analysis and novel isotopic constraints, which indicate that vehicle emissions were significant components of the urban-reduced nitrogen budget. Reducing vehicle ammonia emissions should be considered to improve ecosystems and human health.
Huan Fang and Greg Michalski
Geosci. Model Dev., 15, 4239–4258, https://doi.org/10.5194/gmd-15-4239-2022, https://doi.org/10.5194/gmd-15-4239-2022, 2022
Short summary
Short summary
A new emission input dataset that incorporates nitrogen isotopes has been used in the CMAQ (Community Multiscale Air Quality) modeling system simulation to qualitatively analyze the changes in δ15N values, due to the dispersion, mixing, and transport of the atmospheric NOx emitted from different sources. The dispersion, mixing, and transport of the atmospheric NOx were based on the meteorology files generated from the WRF (Weather Research and Forecasting) model.
Jiajue Chai, Jack E. Dibb, Bruce E. Anderson, Claire Bekker, Danielle E. Blum, Eric Heim, Carolyn E. Jordan, Emily E. Joyce, Jackson H. Kaspari, Hannah Munro, Wendell W. Walters, and Meredith G. Hastings
Atmos. Chem. Phys., 21, 13077–13098, https://doi.org/10.5194/acp-21-13077-2021, https://doi.org/10.5194/acp-21-13077-2021, 2021
Short summary
Short summary
Nitrous acid (HONO) derived from wildfire emissions plays a key role in controlling atmospheric oxidation chemistry. However, the HONO budget remains poorly constrained. By combining the field-observed concentrations and novel isotopic composition (N and O) of HONO and nitrogen oxides (NOx), we quantitatively constrained the relative contribution of each pathway to secondary HONO production and the relative importance of major atmospheric oxidants (ozone versus peroxy) in aged wildfire smoke.
Huan Fang and Greg Michalski
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2020-322, https://doi.org/10.5194/gmd-2020-322, 2020
Publication in GMD not foreseen
Short summary
Short summary
A new emission input dataset that incorporates nitrogen isotopes has been developed to simulate isotope tracers in air pollution. The NOx emission from different sources simulated by Sparse Matrix Operator Kerner Emissions (SMOKE) were replicated using 15N. The dataset is able to predict δ15N variations in NOx that are similar to those observed in aerosol and gases in the troposphere.
Wendell W. Walters, Linlin Song, Jiajue Chai, Yunting Fang, Nadia Colombi, and Meredith G. Hastings
Atmos. Chem. Phys., 20, 11551–11567, https://doi.org/10.5194/acp-20-11551-2020, https://doi.org/10.5194/acp-20-11551-2020, 2020
Short summary
Short summary
This article details new field observations of the nitrogen stable isotopic composition of ammonia emitted from vehicles conducted in the US and China. Vehicle emissions of ammonia may be a significant source to urban regions with important human health and environmental implications. Our measurements have indicated a consistent isotopic signature from vehicle ammonia emissions. The nitrogen isotopic composition of ammonia may be a useful tool for tracking vehicle emissions.
Jianghanyang Li, Xuan Zhang, John Orlando, Geoffrey Tyndall, and Greg Michalski
Atmos. Chem. Phys., 20, 9805–9819, https://doi.org/10.5194/acp-20-9805-2020, https://doi.org/10.5194/acp-20-9805-2020, 2020
Short summary
Short summary
Nitrogen isotopic compositions of atmospheric reactive nitrogen are widely used to infer their sources. However, the reactions between NO and NO2 strongly impact their isotopes, which was not well understood. We conducted a series of experiments in an atmospheric simulation chamber to determine the isotopic effects of (1) direct isotopic exchange between NO and NO2 and (2) the isotopic fractionations during NOx photochemistry, then developed an equation to quantify the overall isotopic effect.
G. Michalski, S. K. Bhattacharya, and G. Girsch
Atmos. Chem. Phys., 14, 4935–4953, https://doi.org/10.5194/acp-14-4935-2014, https://doi.org/10.5194/acp-14-4935-2014, 2014
Related subject area
Atmospheric sciences
Deep learning applied to CO2 power plant emissions quantification using simulated satellite images
Sensitivity of the WRF-Chem v4.4 simulations of ozone and formaldehyde and their precursors to multiple bottom-up emission inventories over East Asia during the KORUS-AQ 2016 field campaign
Optimising urban measurement networks for CO2 flux estimation: a high-resolution observing system simulation experiment using GRAMM/GRAL
Assessment of climate biases in OpenIFS version 43r3 across model horizontal resolutions and time steps
High-resolution multi-scaling of outdoor human thermal comfort and its intra-urban variability based on machine learning
Effects of vertical grid spacing on the climate simulated in the ICON-Sapphire global storm-resolving model
Development of the tangent linear and adjoint models of the global online chemical transport model MPAS-CO2 v7.3
Impacts of updated reaction kinetics on the global GEOS-Chem simulation of atmospheric chemistry
Spatial spin-up of precipitation in limited-area convection-permitting simulations over North America using the CRCM6/GEM5.0 model
Sensitivity of atmospheric rivers to aerosol treatment in regional climate simulations: insights from the AIRA identification algorithm
The implementation of dust mineralogy in COSMO5.05-MUSCAT
Implementation of the ISORROPIA-lite aerosol thermodynamics model into the EMAC chemistry climate model (based on MESSy v2.55): implications for aerosol composition and acidity
Evaluation of surface shortwave downward radiation forecasts by the numerical weather prediction model AROME
GEO4PALM v1.1: an open-source geospatial data processing toolkit for the PALM model system
Modeling collision–coalescence in particle microphysics: numerical convergence of mean and variance of precipitation in cloud simulations using the University of Warsaw Lagrangian Cloud Model (UWLCM) 2.1
Modeling below-cloud scavenging of size-resolved particles in GEM-MACHv3.1
Impacts of a double-moment bulk cloud microphysics scheme (NDW6-G23) on aerosol fields in NICAM.19 with a global 14 km grid resolution
Sensitivity of air quality model responses to emission changes: comparison of results based on four EU inventories through FAIRMODE benchmarking methodology
A simple and realistic aerosol emission approach for use in the Thompson–Eidhammer microphysics scheme in the NOAA UFS Weather Model (version GSL global-24Feb2022)
On the formation of biogenic secondary organic aerosol in chemical transport models: an evaluation of the WRF-CHIMERE (v2020r2) model with a focus over the Finnish boreal forest
The first application of a numerically exact, higher-order sensitivity analysis approach for atmospheric modelling: implementation of the hyperdual-step method in the Community Multiscale Air Quality Model (CMAQ) version 5.3.2
GAN-argcPredNet v2.0: a radar echo extrapolation model based on spatiotemporal process enhancement
Analysis of the GEFS-Aerosols annual budget to better understand aerosol predictions simulated in the model
A model for rapid PM2.5 exposure estimates in wildfire conditions using routinely available data: rapidfire v0.1.3
BoundaryLayerDynamics.jl v1.0: a modern codebase for atmospheric boundary-layer simulations
The wave-age-dependent stress parameterisation (WASP) for momentum and heat turbulent fluxes at sea in SURFEX v8.1
Spherical air mass factors in one and two dimensions with SASKTRAN 1.6.0
An improved version of the piecewise parabolic method advection scheme: description and performance assessment in a bidimensional test case with stiff chemistry in toyCTM v1.0.1
INCHEM-Py v1.2: a community box model for indoor air chemistry
Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemistry-transport model using Cloud-J v7.3e
Representation of atmosphere-induced heterogeneity in land–atmosphere interactions in E3SM–MMFv2
A global grid model for the estimation of zenith tropospheric delay considering the variations at different altitudes
Data assimilation for the Model for Prediction Across Scales – Atmosphere with the Joint Effort for Data assimilation Integration (JEDI-MPAS 2.0.0-beta): ensemble of 3D ensemble-variational (En-3DEnVar) assimilations
A Grid Model for Vertical Correction of Precipitable Water Vapor over the Chinese Mainland and Surrounding Areas Using Random Forest
Simulations of 7Be and 10Be with the GEOS-Chem global model v14.0.2 using state-of-the-art production rates
Comprehensive evaluation of typical planetary boundary layer (PBL) parameterization schemes in China – Part 2: Influence of uncertainty factors
Advances and Prospects of Deep Learning for Medium-Range Extreme Weather Forecasting
A mountain-induced moist baroclinic wave test case for the dynamical cores of atmospheric general circulation models
The effect of emission source chemical profiles on simulated PM2.5 components: sensitivity analysis with the Community Multiscale Air Quality (CMAQ) modeling system version 5.0.2
Challenges of constructing and selecting the "perfect" initial and boundary conditions for the LES model PALM
Comprehensive evaluation of typical planetary boundary layer (PBL) parameterization schemes in China – Part 1: Understanding expressiveness of schemes for different regions from the mechanism perspective
Evaluating 3 decades of precipitation in the Upper Colorado River basin from a high-resolution regional climate model
How non-equilibrium aerosol chemistry impacts particle acidity: the GMXe AERosol CHEMistry (GMXe–AERCHEM, v1.0) sub-submodel of MESSy
Implementation of a satellite-based tool for the quantification of CH4 emissions over Europe (AUMIA v1.0) – Part 1: forward modelling evaluation against near-surface and satellite data
Validation and Analysis of the Polair3D v1.11 Chemical Transport Model Over Quebec
The capabilities of the adjoint of GEOS-Chem model to support HEMCO emission inventories and MERRA-2 meteorological data
Rapid O3 assimilations – Part 1: Background and local contributions to tropospheric O3 changes in China in 2015–2020
Description and evaluation of the new UM–UKCA (vn11.0) Double Extended Stratospheric–Tropospheric (DEST vn1.0) scheme for comprehensive modelling of halogen chemistry in the stratosphere
A robust error correction method for numerical weather prediction wind speed based on Bayesian optimization, variational mode decomposition, principal component analysis, and random forest: VMD-PCA-RF (version 1.0.0)
Description and performance of a sectional aerosol microphysical model in the Community Earth System Model (CESM2)
Joffrey Dumont Le Brazidec, Pierre Vanderbecken, Alban Farchi, Grégoire Broquet, Gerrit Kuhlmann, and Marc Bocquet
Geosci. Model Dev., 17, 1995–2014, https://doi.org/10.5194/gmd-17-1995-2024, https://doi.org/10.5194/gmd-17-1995-2024, 2024
Short summary
Short summary
Our research presents an innovative approach to estimating power plant CO2 emissions from satellite images of the corresponding plumes such as those from the forthcoming CO2M satellite constellation. The exploitation of these images is challenging due to noise and meteorological uncertainties. To overcome these obstacles, we use a deep learning neural network trained on simulated CO2 images. Our method outperforms alternatives, providing a positive perspective for the analysis of CO2M images.
Kyoung-Min Kim, Si-Wan Kim, Seunghwan Seo, Donald R. Blake, Seogju Cho, James H. Crawford, Louisa K. Emmons, Alan Fried, Jay R. Herman, Jinkyu Hong, Jinsang Jung, Gabriele G. Pfister, Andrew J. Weinheimer, Jung-Hun Woo, and Qiang Zhang
Geosci. Model Dev., 17, 1931–1955, https://doi.org/10.5194/gmd-17-1931-2024, https://doi.org/10.5194/gmd-17-1931-2024, 2024
Short summary
Short summary
Three emission inventories were evaluated for East Asia using data acquired during a field campaign in 2016. The inventories successfully reproduced the daily variations of ozone and nitrogen dioxide. However, the spatial distributions of model ozone did not fully agree with the observations. Additionally, all simulations underestimated carbon monoxide and volatile organic compound (VOC) levels. Increasing VOC emissions over South Korea resulted in improved ozone simulations.
Sanam Noreen Vardag and Robert Maiwald
Geosci. Model Dev., 17, 1885–1902, https://doi.org/10.5194/gmd-17-1885-2024, https://doi.org/10.5194/gmd-17-1885-2024, 2024
Short summary
Short summary
We use the atmospheric transport model GRAMM/GRAL in a Bayesian inversion to estimate urban CO2 emissions on a neighbourhood scale. We analyse the effect of varying number, precision and location of CO2 sensors for CO2 flux estimation. We further test the inclusion of co-emitted species and correlation in the inversion. The study showcases the general usefulness of GRAMM/GRAL in measurement network design.
Abhishek Savita, Joakim Kjellsson, Robin Pilch Kedzierski, Mojib Latif, Tabea Rahm, Sebastian Wahl, and Wonsun Park
Geosci. Model Dev., 17, 1813–1829, https://doi.org/10.5194/gmd-17-1813-2024, https://doi.org/10.5194/gmd-17-1813-2024, 2024
Short summary
Short summary
The OpenIFS model is used to examine the impact of horizontal resolutions (HR) and model time steps. We find that the surface wind biases over the oceans, in particular the Southern Ocean, are sensitive to the model time step and HR, with the HR having the smallest biases. When using a coarse-resolution model with a shorter time step, a similar improvement is also found. Climate biases can be reduced in the OpenIFS model at a cheaper cost by reducing the time step rather than increasing the HR.
Ferdinand Briegel, Jonas Wehrle, Dirk Schindler, and Andreas Christen
Geosci. Model Dev., 17, 1667–1688, https://doi.org/10.5194/gmd-17-1667-2024, https://doi.org/10.5194/gmd-17-1667-2024, 2024
Short summary
Short summary
We present a new approach to model heat stress in cities using artificial intelligence (AI). We show that the AI model is fast in terms of prediction but accurate when evaluated with measurements. The fast-predictive AI model enables several new potential applications, including heat stress prediction and warning; downscaling of potential future climates; evaluation of adaptation effectiveness; and, more fundamentally, development of guidelines to support urban planning and policymaking.
Hauke Schmidt, Sebastian Rast, Jiawei Bao, Amrit Cassim, Shih-Wei Fang, Diego Jimenez-de la Cuesta, Paul Keil, Lukas Kluft, Clarissa Kroll, Theresa Lang, Ulrike Niemeier, Andrea Schneidereit, Andrew I. L. Williams, and Bjorn Stevens
Geosci. Model Dev., 17, 1563–1584, https://doi.org/10.5194/gmd-17-1563-2024, https://doi.org/10.5194/gmd-17-1563-2024, 2024
Short summary
Short summary
A recent development in numerical simulations of the global atmosphere is the increase in horizontal resolution to grid spacings of a few kilometers. However, the vertical grid spacing of these models has not been reduced at the same rate as the horizontal grid spacing. Here, we assess the effects of much finer vertical grid spacings, in particular the impacts on cloud quantities and the atmospheric energy balance.
Tao Zheng, Sha Feng, Jeffrey Steward, Xiaoxu Tian, David Baker, and Martin Baxter
Geosci. Model Dev., 17, 1543–1562, https://doi.org/10.5194/gmd-17-1543-2024, https://doi.org/10.5194/gmd-17-1543-2024, 2024
Short summary
Short summary
The tangent linear and adjoint models have been successfully implemented in the MPAS-CO2 system, which has undergone rigorous accuracy testing. This development lays the groundwork for a global carbon flux data assimilation system, which offers the flexibility of high-resolution focus on specific areas, while maintaining a coarser resolution elsewhere. This approach significantly reduces computational costs and is thus perfectly suited for future CO2 geostationery and imager satellites.
Kelvin H. Bates, Mathew J. Evans, Barron H. Henderson, and Daniel J. Jacob
Geosci. Model Dev., 17, 1511–1524, https://doi.org/10.5194/gmd-17-1511-2024, https://doi.org/10.5194/gmd-17-1511-2024, 2024
Short summary
Short summary
Accurate representation of rates and products of chemical reactions in atmospheric models is crucial for simulating concentrations of pollutants and climate forcers. We update the widely used GEOS-Chem atmospheric chemistry model with reaction parameters from recent compilations of experimental data and demonstrate the implications for key atmospheric chemical species. The updates decrease tropospheric CO mixing ratios and increase stratospheric nitrogen oxide mixing ratios, among other changes.
François Roberge, Alejandro Di Luca, René Laprise, Philippe Lucas-Picher, and Julie Thériault
Geosci. Model Dev., 17, 1497–1510, https://doi.org/10.5194/gmd-17-1497-2024, https://doi.org/10.5194/gmd-17-1497-2024, 2024
Short summary
Short summary
Our study addresses a challenge in dynamical downscaling using regional climate models, focusing on the lack of small-scale features near the boundaries. We introduce a method to identify this “spatial spin-up” in precipitation simulations. Results show spin-up distances up to 300 km, varying by season and driving variable. Double nesting with comprehensive variables (e.g. microphysical variables) offers advantages. Findings will help optimize simulations for better climate projections.
Eloisa Raluy-López, Juan Pedro Montávez, and Pedro Jiménez-Guerrero
Geosci. Model Dev., 17, 1469–1495, https://doi.org/10.5194/gmd-17-1469-2024, https://doi.org/10.5194/gmd-17-1469-2024, 2024
Short summary
Short summary
Atmospheric rivers (ARs) represent a significant source of water but are also related to extreme precipitation events. Here, we present a new regional-scale AR identification algorithm and apply it to three simulations that include aerosol interactions at different levels. The results show that aerosols modify the intensity and trajectory of ARs and redistribute the AR-related precipitation. Thus, the correct inclusion of aerosol effects is important in the simulation of AR behavior.
Sofía Gómez Maqueo Anaya, Dietrich Althausen, Matthias Faust, Holger Baars, Bernd Heinold, Julian Hofer, Ina Tegen, Albert Ansmann, Ronny Engelmann, Annett Skupin, Birgit Heese, and Kerstin Schepanski
Geosci. Model Dev., 17, 1271–1295, https://doi.org/10.5194/gmd-17-1271-2024, https://doi.org/10.5194/gmd-17-1271-2024, 2024
Short summary
Short summary
Mineral dust aerosol particles vary greatly in their composition depending on source region, which leads to different physicochemical properties. Most atmosphere–aerosol models consider mineral dust aerosols to be compositionally homogeneous, which ultimately increases model uncertainty. Here, we present an approach to explicitly consider the heterogeneity of the mineralogical composition for simulations of the Saharan atmospheric dust cycle with regard to dust transport towards the Atlantic.
Alexandros Milousis, Alexandra P. Tsimpidi, Holger Tost, Spyros N. Pandis, Athanasios Nenes, Astrid Kiendler-Scharr, and Vlassis A. Karydis
Geosci. Model Dev., 17, 1111–1131, https://doi.org/10.5194/gmd-17-1111-2024, https://doi.org/10.5194/gmd-17-1111-2024, 2024
Short summary
Short summary
This study aims to evaluate the newly developed ISORROPIA-lite aerosol thermodynamic module within the EMAC model and explore discrepancies in global atmospheric simulations of aerosol composition and acidity by utilizing different aerosol phase states. Even though local differences were found in regions where the RH ranged from 20 % to 60 %, on a global scale the results are similar. Therefore, ISORROPIA-lite can be a reliable and computationally effective alternative to ISORROPIA II in EMAC.
Marie-Adèle Magnaldo, Quentin Libois, Sébastien Riette, and Christine Lac
Geosci. Model Dev., 17, 1091–1109, https://doi.org/10.5194/gmd-17-1091-2024, https://doi.org/10.5194/gmd-17-1091-2024, 2024
Short summary
Short summary
With the worldwide development of the solar energy sector, the need for reliable solar radiation forecasts has significantly increased. However, meteorological models that predict, among others things, solar radiation have errors. Therefore, we wanted to know in which situtaions these errors are most significant. We found that errors mostly occur in cloudy situations, and different errors were highlighted depending on the cloud altitude. Several potential sources of errors were identified.
Dongqi Lin, Jiawei Zhang, Basit Khan, Marwan Katurji, and Laura E. Revell
Geosci. Model Dev., 17, 815–845, https://doi.org/10.5194/gmd-17-815-2024, https://doi.org/10.5194/gmd-17-815-2024, 2024
Short summary
Short summary
GEO4PALM is an open-source tool to generate static input for the Parallelized Large-Eddy Simulation (PALM) model system. Geospatial static input is essential for realistic PALM simulations. However, existing tools fail to generate PALM's geospatial static input for most regions. GEO4PALM is compatible with diverse geospatial data sources and provides access to free data sets. In addition, this paper presents two application examples, which show successful PALM simulations using GEO4PALM.
Piotr Zmijewski, Piotr Dziekan, and Hanna Pawlowska
Geosci. Model Dev., 17, 759–780, https://doi.org/10.5194/gmd-17-759-2024, https://doi.org/10.5194/gmd-17-759-2024, 2024
Short summary
Short summary
In computer simulations of clouds it is necessary to model the myriad of droplets that constitute a cloud. A popular method for this is to use so-called super-droplets (SDs), each representing many real droplets. It has remained a challenge to model collisions of SDs. We study how precipitation in a cumulus cloud depends on the number of SDs. Surprisingly, we do not find convergence in mean precipitation even for numbers of SDs much larger than typically used in simulations.
Roya Ghahreman, Wanmin Gong, Paul A. Makar, Alexandru Lupu, Amanda Cole, Kulbir Banwait, Colin Lee, and Ayodeji Akingunola
Geosci. Model Dev., 17, 685–707, https://doi.org/10.5194/gmd-17-685-2024, https://doi.org/10.5194/gmd-17-685-2024, 2024
Short summary
Short summary
The article explores the impact of different representations of below-cloud scavenging on model biases. A new scavenging scheme and precipitation-phase partitioning improve the model's performance, with better SO42- scavenging and wet deposition of NO3- and NH4+.
Daisuke Goto, Tatsuya Seiki, Kentaroh Suzuki, Hisashi Yashiro, and Toshihiko Takemura
Geosci. Model Dev., 17, 651–684, https://doi.org/10.5194/gmd-17-651-2024, https://doi.org/10.5194/gmd-17-651-2024, 2024
Short summary
Short summary
Global climate models with coarse grid sizes include uncertainties about the processes in aerosol–cloud–precipitation interactions. To reduce these uncertainties, here we performed numerical simulations using a new version of our global aerosol transport model with a finer grid size over a longer period than in our previous study. As a result, we found that the cloud microphysics module influences the aerosol distributions through both aerosol wet deposition and aerosol–cloud interactions.
Alexander de Meij, Cornelis Cuvelier, Philippe Thunis, Enrico Pisoni, and Bertrand Bessagnet
Geosci. Model Dev., 17, 587–606, https://doi.org/10.5194/gmd-17-587-2024, https://doi.org/10.5194/gmd-17-587-2024, 2024
Short summary
Short summary
In our study the robustness of the model responses to emission reductions in the EU is assessed when the emission data are changed. Our findings are particularly important to better understand the uncertainties associated to the emission inventories and how these uncertainties impact the level of accuracy of the resulting air quality modelling, which is a key for designing air quality plans. Also crucial is the choice of indicator to avoid misleading interpretations of the results.
Haiqin Li, Georg A. Grell, Ravan Ahmadov, Li Zhang, Shan Sun, Jordan Schnell, and Ning Wang
Geosci. Model Dev., 17, 607–619, https://doi.org/10.5194/gmd-17-607-2024, https://doi.org/10.5194/gmd-17-607-2024, 2024
Short summary
Short summary
We developed a simple and realistic method to provide aerosol emissions for aerosol-aware microphysics in a numerical weather forecast model. The cloud-radiation differences between the experimental (EXP) and control (CTL) experiments responded to the aerosol differences. The strong positive precipitation biases over North America and Europe from the CTL run were significantly reduced in the EXP run. This study shows that a realistic representation of aerosol emissions should be considered.
Giancarlo Ciarelli, Sara Tahvonen, Arineh Cholakian, Manuel Bettineschi, Bruno Vitali, Tuukka Petäjä, and Federico Bianchi
Geosci. Model Dev., 17, 545–565, https://doi.org/10.5194/gmd-17-545-2024, https://doi.org/10.5194/gmd-17-545-2024, 2024
Short summary
Short summary
The terrestrial ecosystem releases large quantities of biogenic gases in the Earth's Atmosphere. These gases can effectively be converted into so-called biogenic aerosol particles and, eventually, affect the Earth's climate. Climate prediction varies greatly depending on how these processes are represented in model simulations. In this study, we present a detailed model evaluation analysis aimed at understanding the main source of uncertainty in predicting the formation of biogenic aerosols.
Jiachen Liu, Eric Chen, and Shannon L. Capps
Geosci. Model Dev., 17, 567–585, https://doi.org/10.5194/gmd-17-567-2024, https://doi.org/10.5194/gmd-17-567-2024, 2024
Short summary
Short summary
Air pollution harms human life and ecosystems, but its sources are complex. Scientists and policy makers use air pollution models to advance knowledge and inform control strategies. We implemented a recently developed numeral system to relate any set of model inputs, like pollutant emissions from a given activity, to all model outputs, like concentrations of pollutants harming human health. This approach will be straightforward to update when scientists discover new processes in the atmosphere.
Kun Zheng, Qiya Tan, Huihua Ruan, Jinbiao Zhang, Cong Luo, Siyu Tang, Yunlei Yi, Yugang Tian, and Jianmei Cheng
Geosci. Model Dev., 17, 399–413, https://doi.org/10.5194/gmd-17-399-2024, https://doi.org/10.5194/gmd-17-399-2024, 2024
Short summary
Short summary
Radar echo extrapolation is the common method in precipitation nowcasting. Deep learning has potential in extrapolation. However, the existing models have low prediction accuracy for heavy rainfall. In this study, the prediction accuracy is improved by suppressing the blurring effect of rain distribution and reducing the negative bias. The results show that our model has better performance, which is useful for urban operation and flood prevention.
Li Pan, Partha S. Bhattacharjee, Li Zhang, Raffaele Montuoro, Barry Baker, Jeff McQueen, Georg A. Grell, Stuart A. McKeen, Shobha Kondragunta, Xiaoyang Zhang, Gregory J. Frost, Fanglin Yang, and Ivanka Stajner
Geosci. Model Dev., 17, 431–447, https://doi.org/10.5194/gmd-17-431-2024, https://doi.org/10.5194/gmd-17-431-2024, 2024
Short summary
Short summary
A GEFS-Aerosols simulation was conducted from 1 September 2019 to 30 September 2020 to evaluate the model performance of GEFS-Aerosols. The purpose of this study was to understand how aerosol chemical and physical processes affect ambient aerosol concentrations by placing aerosol wet deposition, dry deposition, reactions, gravitational deposition, and emissions into the aerosol mass balance equation.
Sean Raffuse, Susan O'Neill, and Rebecca Schmidt
Geosci. Model Dev., 17, 381–397, https://doi.org/10.5194/gmd-17-381-2024, https://doi.org/10.5194/gmd-17-381-2024, 2024
Short summary
Short summary
Large wildfires are increasing throughout the western United States, and wildfire smoke is hazardous to public health. We developed a suite of tools called rapidfire for estimating particle pollution during wildfires using routinely available data sets. rapidfire uses official air monitoring, satellite data, meteorology, smoke modeling, and low-cost sensors. Estimates from rapidfire compare well with ground monitors and are being used in public health studies across California.
Manuel F. Schmid, Marco G. Giometto, Gregory A. Lawrence, and Marc B. Parlange
Geosci. Model Dev., 17, 321–333, https://doi.org/10.5194/gmd-17-321-2024, https://doi.org/10.5194/gmd-17-321-2024, 2024
Short summary
Short summary
Turbulence-resolving flow models have strict performance requirements, as simulations often run for weeks using hundreds of processes. Many flow scenarios also require the flexibility to modify physical and numerical models for problem-specific requirements. With a new code written in Julia we hope to make such adaptations easier without compromising on performance. In this paper we discuss the modeling approach and present validation and performance results.
Marie-Noëlle Bouin, Cindy Lebeaupin Brossier, Sylvie Malardel, Aurore Voldoire, and César Sauvage
Geosci. Model Dev., 17, 117–141, https://doi.org/10.5194/gmd-17-117-2024, https://doi.org/10.5194/gmd-17-117-2024, 2024
Short summary
Short summary
In numerical models, the turbulent exchanges of heat and momentum at the air–sea interface are not represented explicitly but with parameterisations depending on the surface parameters. A new parameterisation of turbulent fluxes (WASP) has been implemented in the surface model SURFEX v8.1 and validated on four case studies. It combines a close fit to observations including cyclonic winds, a dependency on the wave growth rate, and the possibility of being used in atmosphere–wave coupled models.
Lukas Fehr, Chris McLinden, Debora Griffin, Daniel Zawada, Doug Degenstein, and Adam Bourassa
Geosci. Model Dev., 16, 7491–7507, https://doi.org/10.5194/gmd-16-7491-2023, https://doi.org/10.5194/gmd-16-7491-2023, 2023
Short summary
Short summary
This work highlights upgrades to SASKTRAN, a model that simulates sunlight interacting with the atmosphere to help measure trace gases. The upgrades were verified by detailed comparisons between different numerical methods. A case study was performed using SASKTRAN’s multidimensional capabilities, which found that ignoring horizontal variation in the atmosphere (a common practice in the field) can introduce non-negligible errors where there is snow or high pollution.
Sylvain Mailler, Romain Pennel, Laurent Menut, and Arineh Cholakian
Geosci. Model Dev., 16, 7509–7526, https://doi.org/10.5194/gmd-16-7509-2023, https://doi.org/10.5194/gmd-16-7509-2023, 2023
Short summary
Short summary
We show that a new advection scheme named PPM + W (piecewise parabolic method + Walcek) offers geoscientific modellers an alternative, high-performance scheme designed for Cartesian-grid advection, with improved performance over the classical PPM scheme. The computational cost of PPM + W is not higher than that of PPM. With improved accuracy and controlled computational cost, this new scheme may find applications in chemistry-transport models, ocean models or atmospheric circulation models.
David R. Shaw, Toby J. Carter, Helen L. Davies, Ellen Harding-Smith, Elliott C. Crocker, Georgia Beel, Zixu Wang, and Nicola Carslaw
Geosci. Model Dev., 16, 7411–7431, https://doi.org/10.5194/gmd-16-7411-2023, https://doi.org/10.5194/gmd-16-7411-2023, 2023
Short summary
Short summary
Exposure to air pollution is one of the greatest risks to human health, and it is indoors, where we spend upwards of 90 % of our time, that our exposure is greatest. The INdoor CHEMical model in Python (INCHEM-Py) is a new, community-led box model that tracks the evolution and fate of atmospheric chemical pollutants indoors. We have shown the processes simulated by INCHEM-Py, its ability to model experimental data and how it may be used to develop further understanding of indoor air chemistry.
Willem E. van Caspel, David Simpson, Jan Eiof Jonson, Anna M. K. Benedictow, Yao Ge, Alcide di Sarra, Giandomenico Pace, Massimo Vieno, Hannah L. Walker, and Mathew R. Heal
Geosci. Model Dev., 16, 7433–7459, https://doi.org/10.5194/gmd-16-7433-2023, https://doi.org/10.5194/gmd-16-7433-2023, 2023
Short summary
Short summary
Radiation coming from the sun is essential to atmospheric chemistry, driving the breakup, or photodissociation, of atmospheric molecules. This in turn affects the chemical composition and reactivity of the atmosphere. The representation of photodissociation effects is therefore essential in atmospheric chemistry modeling. One such model is the EMEP MSC-W model, for which a new way of calculating the photodissociation rates is tested and evaluated in this paper.
Jungmin Lee, Walter M. Hannah, and David C. Bader
Geosci. Model Dev., 16, 7275–7287, https://doi.org/10.5194/gmd-16-7275-2023, https://doi.org/10.5194/gmd-16-7275-2023, 2023
Short summary
Short summary
Representing accurate land–atmosphere interaction processes is overlooked in weather and climate models. In this study, we propose three methods to represent land–atmosphere coupling in the Energy Exascale Earth System Model (E3SM) with the Multi-scale Modeling Framework (MMF) approach. In this study, we introduce spatially homogeneous and heterogeneous land–atmosphere interaction processes within the cloud-resolving model domain. Our 5-year simulations reveal only small differences.
Liangke Huang, Shengwei Lan, Ge Zhu, Fade Chen, Junyu Li, and Lilong Liu
Geosci. Model Dev., 16, 7223–7235, https://doi.org/10.5194/gmd-16-7223-2023, https://doi.org/10.5194/gmd-16-7223-2023, 2023
Short summary
Short summary
The existing zenith tropospheric delay (ZTD) models have limitations such as using a single fitting function, neglecting daily cycle variations, and relying on only one resolution grid data point for modeling. This model considers the daily cycle variation and latitude factor of ZTD, using the sliding window algorithm based on ERA5 atmospheric reanalysis data. The ZTD data from 545 radiosonde stations and MERRA-2 atmospheric reanalysis data are used to validate the accuracy of the GGZTD-P model.
Jonathan J. Guerrette, Zhiquan Liu, Chris Snyder, Byoung-Joo Jung, Craig S. Schwartz, Junmei Ban, Steven Vahl, Yali Wu, Ivette Hernández Baños, Yonggang G. Yu, Soyoung Ha, Yannick Trémolet, Thomas Auligné, Clementine Gas, Benjamin Ménétrier, Anna Shlyaeva, Mark Miesch, Stephen Herbener, Emily Liu, Daniel Holdaway, and Benjamin T. Johnson
Geosci. Model Dev., 16, 7123–7142, https://doi.org/10.5194/gmd-16-7123-2023, https://doi.org/10.5194/gmd-16-7123-2023, 2023
Short summary
Short summary
We demonstrate an ensemble of variational data assimilations (EDA) with the Model for Prediction Across Scales and the Joint Effort for Data assimilation Integration (JEDI) software framework. When compared to 20-member ensemble forecasts from operational initial conditions, those from 80-member EDA-generated initial conditions improve flow-dependent error covariances and subsequent 10 d forecasts. These experiments are repeatable for any atmospheric model with a JEDI interface.
Junyu Li, Yuxin Wang, Lilong Liu, Yibin Yao, Liangke Hang, and Feijuan Li
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2023-201, https://doi.org/10.5194/gmd-2023-201, 2023
Revised manuscript accepted for GMD
Short summary
Short summary
In this study, we have developed a model (RF-PWV) to characterize PWV variation with altitude in the study area. The RF-PWV can significantly reduce errors in vertical correction, enhance PWV fusion product accuracy, and provide insights into PWV vertical distribution, thereby contributing to climate research.
Minjie Zheng, Hongyu Liu, Florian Adolphi, Raimund Muscheler, Zhengyao Lu, Mousong Wu, and Nønne L. Prisle
Geosci. Model Dev., 16, 7037–7057, https://doi.org/10.5194/gmd-16-7037-2023, https://doi.org/10.5194/gmd-16-7037-2023, 2023
Short summary
Short summary
The radionuclides 7Be and 10Be are useful tracers for atmospheric transport studies. Here we use the GEOS-Chem to simulate 7Be and 10Be with different production rates: the default production rate in GEOS-Chem and two from the state-of-the-art beryllium production model. We demonstrate that reduced uncertainties in the production rates can enhance the utility of 7Be and 10Be as tracers for evaluating transport and scavenging processes in global models.
Wenxing Jia, Xiaoye Zhang, Hong Wang, Yaqiang Wang, Deying Wang, Junting Zhong, Wenjie Zhang, Lei Zhang, Lifeng Guo, Yadong Lei, Jizhi Wang, Yuanqin Yang, and Yi Lin
Geosci. Model Dev., 16, 6833–6856, https://doi.org/10.5194/gmd-16-6833-2023, https://doi.org/10.5194/gmd-16-6833-2023, 2023
Short summary
Short summary
In addition to the dominant role of the PBL scheme on the results of the meteorological field, many factors in the model are influenced by large uncertainties. This study focuses on the uncertainties that influence numerical simulation results (including horizontal resolution, vertical resolution, near-surface scheme, initial and boundary conditions, underlying surface update, and update of model version), hoping to provide a reference for scholars conducting research on the model.
Leonardo Olivetti and Gabriele Messori
EGUsphere, https://doi.org/10.5194/egusphere-2023-2490, https://doi.org/10.5194/egusphere-2023-2490, 2023
Short summary
Short summary
In recent years, deep learning models have emerged as a data-driven alternative to physics-based models for medium-range weather forecasting. This article provides an overview of recent developments in the field, and explores the challenges that deep learning models face when considering extreme weather events. It argues for the need to complement current approaches with models specifically designed to handle extreme events, and proposes a foundational framework to develop such models.
Owen K. Hughes and Christiane Jablonowski
Geosci. Model Dev., 16, 6805–6831, https://doi.org/10.5194/gmd-16-6805-2023, https://doi.org/10.5194/gmd-16-6805-2023, 2023
Short summary
Short summary
Atmospheric models benefit from idealized tests that assess their accuracy in a simpler simulation. A new test with artificial mountains is developed for models on a spherical earth. The mountains trigger the development of both planetary-scale and small-scale waves. These can be analyzed in dry or moist environments, with a simple rainfall mechanism. Four atmospheric models are intercompared. This sheds light on the pros and cons of the model design and the impact of mountains on the flow.
Zhongwei Luo, Yan Han, Kun Hua, Yufen Zhang, Jianhui Wu, Xiaohui Bi, Qili Dai, Baoshuang Liu, Yang Chen, Xin Long, and Yinchang Feng
Geosci. Model Dev., 16, 6757–6771, https://doi.org/10.5194/gmd-16-6757-2023, https://doi.org/10.5194/gmd-16-6757-2023, 2023
Short summary
Short summary
This study explores how the variation in the source profiles adopted in chemical transport models (CTMs) impacts the simulated results of chemical components in PM2.5 based on sensitivity analysis. The impact on PM2.5 components cannot be ignored, and its influence can be transmitted and linked between components. The representativeness and timeliness of the source profile should be paid adequate attention in air quality simulation.
Jelena Radovic, Michal Belda, Jaroslav Resler, Kryštof Eben, Martin Bureš, Jan Geletič, Pavel Krč, Hynek Řezníček, and Vladimír Fuka
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2023-197, https://doi.org/10.5194/gmd-2023-197, 2023
Revised manuscript accepted for GMD
Short summary
Short summary
The initial and boundary conditions are of crucial importance for numerical model (e.g., PALM model) validation studies and have a large influence on the model results especially in the case of studying the atmosphere of a real, complex, and densely built urban environments. Our experiments with different driving conditions for the LES model PALM show its strong dependency on them which is important for the proper separation of errors coming from the boundary conditions and the model itself.
Wenxing Jia, Xiaoye Zhang, Hong Wang, Yaqiang Wang, Deying Wang, Junting Zhong, Wenjie Zhang, Lei Zhang, Lifeng Guo, Yadong Lei, Jizhi Wang, Yuanqin Yang, and Yi Lin
Geosci. Model Dev., 16, 6635–6670, https://doi.org/10.5194/gmd-16-6635-2023, https://doi.org/10.5194/gmd-16-6635-2023, 2023
Short summary
Short summary
Most current studies on planetary boundary layer (PBL) parameterization schemes are relatively fragmented and lack systematic in-depth analysis and discussion. In this study, we comprehensively evaluate the performance capability of the PBL scheme in five typical regions of China in different seasons from the mechanism of the scheme and the effects of PBL schemes on the near-surface meteorological parameters, vertical structures of the PBL, PBL height, and turbulent diffusion.
William Rudisill, Alejandro Flores, and Rosemary Carroll
Geosci. Model Dev., 16, 6531–6552, https://doi.org/10.5194/gmd-16-6531-2023, https://doi.org/10.5194/gmd-16-6531-2023, 2023
Short summary
Short summary
It is important to know how well atmospheric models do in mountains, but there are not very many weather stations. We evaluate rain and snow from a model from 1987–2020 in the Upper Colorado River basin against the available data. The model works rather well, but there are still some uncertainties in remote locations. We then use snow maps collected by aircraft, streamflow measurements, and some advanced statistics to help identify how well the model works in ways we could not do before.
Simon Rosanka, Holger Tost, Rolf Sander, Patrick Jöckel, Astrid Kerkweg, and Domenico Taraborrelli
EGUsphere, https://doi.org/10.5194/egusphere-2023-2587, https://doi.org/10.5194/egusphere-2023-2587, 2023
Short summary
Short summary
The capabilities of the Modular Earth Submodel System (MESSy) are extended to account for non-equilibrium aqueous-phase chemistry in the representation of deliquescent aerosols. When applying the new development in a global simulation we find that MESSy’s bias in modelling routinely observed inorganic aerosol mass concentrations is reduced. Furthermore, the representation of fine aerosol pH is particularly improved in the marine boundary layer.
Angel Liduvino Vara-Vela, Christoffer Karoff, Noelia Rojas Benavente, and Janaina P. Nascimento
Geosci. Model Dev., 16, 6413–6431, https://doi.org/10.5194/gmd-16-6413-2023, https://doi.org/10.5194/gmd-16-6413-2023, 2023
Short summary
Short summary
A 1-year simulation of atmospheric CH4 over Europe is performed and evaluated against observations based on the TROPOspheric Monitoring Instrument (TROPOMI). A good general model–observation agreement is found, with discrepancies reaching their minimum and maximum values during the summer peak season and winter months, respectively. A huge and under-explored potential for CH4 inverse modeling using improved TROPOMI XCH4 data sets in large-scale applications is identified.
Shoma Yamanouchi, Shayamilla Mahagammulla Gamage, Sara Torbatian, Jad Zalzal, Laura Minet, Audrey Smargiassi, Ying Liu, Ling Liu, Youngseob Kim, Daniel Yazgi, Andrée-Anne Brown, and Marianne Hatzopoulou
EGUsphere, https://doi.org/10.5194/egusphere-2023-2038, https://doi.org/10.5194/egusphere-2023-2038, 2023
Short summary
Short summary
Air pollution is a major health hazard, and chemical transport models are valuable tools that aid in our understanding of the risks of air pollution both at local and regional scales. In this study, the Polair3D CTM of the Polyphemus air quality modeling platform was set up over Quebec, Canada to assess the model’s capability in predicting key air pollutant species over the region, at seasonal temporal scales and at regional spatial scales.
Zhaojun Tang, Zhe Jiang, Jiaqi Chen, Panpan Yang, and Yanan Shen
Geosci. Model Dev., 16, 6377–6392, https://doi.org/10.5194/gmd-16-6377-2023, https://doi.org/10.5194/gmd-16-6377-2023, 2023
Short summary
Short summary
We designed a new framework to facilitate emission inventory updates in the adjoint of GEOS-Chem model. It allows us to support Harmonized Emissions Component (HEMCO) emission inventories conveniently and to easily add more emission inventories following future updates in GEOS-Chem forward simulations. Furthermore, we developed new modules to support MERRA-2 meteorological data; this allows us to perform long-term analysis with consistent meteorological data.
Rui Zhu, Zhaojun Tang, Xiaokang Chen, Xiong Liu, and Zhe Jiang
Geosci. Model Dev., 16, 6337–6354, https://doi.org/10.5194/gmd-16-6337-2023, https://doi.org/10.5194/gmd-16-6337-2023, 2023
Short summary
Short summary
A single ozone (O3) tracer mode was developed in this work to build the capability of the GEOS-Chem model for rapid O3 simulation. It is combined with OMI and surface O3 observations to investigate the changes in tropospheric O3 in China in 2015–2020. The assimilations indicate rapid surface O3 increases that are underestimated by the a priori simulations. We find stronger increases in tropospheric O3 columns over polluted areas and a large discrepancy by assimilating different observations.
Ewa M. Bednarz, Ryan Hossaini, N. Luke Abraham, and Martyn P. Chipperfield
Geosci. Model Dev., 16, 6187–6209, https://doi.org/10.5194/gmd-16-6187-2023, https://doi.org/10.5194/gmd-16-6187-2023, 2023
Short summary
Short summary
Development and performance of the new DEST chemistry scheme of UM–UKCA is described. The scheme extends the standard StratTrop scheme by including important updates to the halogen chemistry, thus allowing process-oriented studies of stratospheric ozone depletion and recovery, including impacts from both controlled long-lived ozone-depleting substances and emerging issues around uncontrolled, very short-lived substances. It will thus aid studies in support of future ozone assessment reports.
Shaohui Zhou, Chloe Yuchao Gao, Zexia Duan, Xingya Xi, and Yubin Li
Geosci. Model Dev., 16, 6247–6266, https://doi.org/10.5194/gmd-16-6247-2023, https://doi.org/10.5194/gmd-16-6247-2023, 2023
Short summary
Short summary
The proposed wind speed correction model (VMD-PCA-RF) demonstrates the highest prediction accuracy and stability in the five southern provinces in nearly a year and at different heights. VMD-PCA-RF evaluation indices for 13 months remain relatively stable: the forecasting accuracy rate FA is above 85 %. In future research, the proposed VMD-PCA-RF algorithm can be extrapolated to the 3 km grid points of the five southern provinces to generate a 3 km grid-corrected wind speed product.
Simone Tilmes, Michael J. Mills, Yunqian Zhu, Charles G. Bardeen, Francis Vitt, Pengfei Yu, David Fillmore, Xiaohong Liu, Brian Toon, and Terry Deshler
Geosci. Model Dev., 16, 6087–6125, https://doi.org/10.5194/gmd-16-6087-2023, https://doi.org/10.5194/gmd-16-6087-2023, 2023
Short summary
Short summary
We implemented an alternative aerosol scheme in the high- and low-top model versions of the Community Earth System Model Version 2 (CESM2) with a more detailed description of tropospheric and stratospheric aerosol size distributions than the existing aerosol model. This development enables the comparison of different aerosol schemes with different complexity in the same model framework. It identifies improvements compared to a range of observations in both the troposphere and stratosphere.
Cited articles
Aldener, M., Brown, S. S., Stark, H., Williams, E. J., Lerner, B. M.,
Kuster, W. C., Goldan, P. D., Quinn, P. K., Bates, T. S., Fehsenfeld, F. C.,
and Ravishankara, A. R.: Reactivity and loss mechanisms of NO3 and
N2O5 in a polluted marine environment: Results from in situ
measurements during New England Air Quality Study 2002, J. Geophys. Res.,
111, D23S73, https://doi.org/10.1029/2006JD007252, 2006.
Andreae, M. O. and Crutzen, P. J.: Atmospheric aerosols: biogeochemical
sources and role in atmospheric chemistry, Science, 276, 1052–1058,
1997.
Anttila, T., Kiendler-Scharr, A., Tillmann, R., and Mentel, T. F.: On the
reactive uptake of gaseous compounds by organic-coated aqueous aerosols:
Theoretical analysis and application to the heterogeneous hydrolysis of
N2O5, J. Phys. Chem. A, 110, 10435–10443, 2006.
Atkinson, R.: Gas-phase tropospheric chemistry of organic-compounds – a
review, Atmos. Environ., 24, 1–41, https://doi.org/10.1016/0960-1686(90)90438-s, 1990.
Atkinson, R.: Atmospheric chemistry of VOCs and NOx, Atmos. Environ.,
34, 2063–2101, 2000.
Atkinson, R., Baulch, D. L., Cox, R. A., Hampson Jr., R. F., Kerr, J. A.,
and Troe, J.: Evaluated kinetic and photochemical data for atmospheric
chemistry supplement-iv – IUPAC subcommittee on gas kinetic data evaluation
for atmospheric chemistry, J. Phys. and Chem. Ref. Data, 21, 1125–1568,
https://doi.org/10.1063/1.555918, 1992.
Bauer, S. E., Koch, D., Unger, N., Metzger, S. M., Shindell, D. T., and Streets, D. G.: Nitrate aerosols today and in 2030: a global simulation including aerosols and tropospheric ozone, Atmos. Chem. Phys., 7, 5043–5059, https://doi.org/10.5194/acp-7-5043-2007, 2007.
Bertram, T. H. and Thornton, J. A.: Toward a general parameterization of N2O5 reactivity on aqueous particles: the competing effects of particle liquid water, nitrate and chloride, Atmos. Chem. Phys., 9, 8351–8363, https://doi.org/10.5194/acp-9-8351-2009, 2009.
Bigeleisen, J.: Second-Order Sum Rule for the Vibrations of Isotopic
Molecules and the Second Rule of the Mean, J. Chem. Phys., 28, 694–699,
1958.
Bigeleisen, J. and Mayer, M. G.: Calculation of Equilibrium Constants for
Isotopic Exchange Reactions, J. Chem. Phys., 15, 261–267, 1947.
Bigeleisen, J. and Wolfsberg, M.: Theoretical and experimental aspects of
isotope effects in chemical kinetics, Adv. Chem. Phys., 1, 15–76, 1958.
Blake, G. A., Liang, M. C., Morgan, C. G., and Yung, Y. L.: A
born-oppenheimer photolysis model of N2O fractionation, Geophys. Res.
Lett., 30, 58/51–58/54, 2003.
Bloss, W. J., Evans, M. J., Lee, J. D., Sommariva, R., Heard, D. E., and
Pilling, M. J.: The oxidative capacity of the troposphere: Coupling of field
measurements of OH and a global chemistry transport model, Faraday Discuss.,
130, 425–436, 2005.
Brimblecombe, P., Hara, H., Houle, D., and Novak, M.: Acid Rain –
Deposition to Recovery, Springer, 2007.
Brown, L. L. and Begun, G. M.: Nitrogen isotopic fractionation between
nitric acid and the oxides of nitrogen, J. Chem. Phys., 30, 1206–1209,
1959.
Brown, S. S., Burkholder, J. B., Talukdar, R. K., and Ravishankara, A. R.:
Reaction of hydroxyl radical with nitric acid: insights into its mechanism,
J. Phys. Chem. A, 105, 1605–1614, 2001.
Brown, S. S., Ryerson, T. B., Wollny, A. G., Brock, C. A., Peltier, R.,
Sullivan, A. P., Weber, R. J., Dube, W. P., Trainer, M., Meagher, J. F.,
Fehsenfeld, F. C., and Ravishankara, A. R.: Variability in nocturnal
nitrogen oxide processing and its role in regional air quality, Science,
311, 67–70, 2006.
Bruning-Fann, C. S., and Kaneene, J. B.: The Effects of Nitrate, Nitrite
and N-Nitroso Compounds on Human Health – A Review, Vet. Human Toxic.,
35, 521–538, 1993.
Cai, R., Yang, D., Fu, Y., Wang, X., Li, X., Ma, Y., Hao, J., Zheng, J., and Jiang, J.: Aerosol surface area concentration: a governing factor in new particle formation in Beijing, Atmos. Chem. Phys., 17, 12327–12340, https://doi.org/10.5194/acp-17-12327-2017, 2017.
Cao, Z., Zhou, X., Ma, Y., Wang, L., Wu, R., Chen, B., and Wang, W.: The
Concentrations, Formations, Relationships and Modeling of Sulfate, Nitrate
and Ammonium (SNA) Aerosols over China, Aerosol Air Quality Res., 17,
84–97, https://doi.org/10.4209/aaqr.2016.01.0020, 2017.
Chai, J. and Hastings, M. G.: Collection Method for Isotopic Analysis of
Gaseous Nitrous Acid, Anal. Chem., 90, 830–838,
https://doi.org/10.1021/acs.analchem.7b03561, 2018.
Chang, W. L., Bhave, P. V., Brown, S. S., Riemer, N., Stutz, J., and
Dabdub, D.: Heterogeneous Atmospheric Chemistry, Ambient Measurements, and
Model Calculations of N2O5: A Review, Aero. Sci. Tech., 45,
665–695, 2011.
Charlson, R. J., Schwartz, S. E., Hales, J. M., Cess, R. D., Coakley, J. J.,
Hansen, J. E., and Hofmann, D. J.: Climate Forcing by Anthropogenic
Aerosols, Science, 255, 423–430, 1992.
Chen, W. T., Liao, H., and Seinfeld, J. H.: Future climate impacts of
direct radiative forcing of anthropogenic aerosols, tropospheric ozone, and
long-lived greenhouse gases, J. Geophys. Res., 112, D14209, https://doi.org/10.1029/2006JD00805, 2007.
Davis, J. M., Bhave, P. V., and Foley, K. M.: Parameterization of N2O5 reaction probabilities on the surface of particles containing ammonium, sulfate, and nitrate, Atmos. Chem. Phys., 8, 5295–5311, https://doi.org/10.5194/acp-8-5295-2008, 2008.
Day, D. A., Dillon, M. B., Wooldridge, P. J., Thornton, J. A., Rosen, R. S.,
Wood, E. C., and Cohen, R. C.: On alkyl nitrates, O3, and the “missing
NOy”, J. Geophys. Res., 108, 4501, https://doi.org/10.1029/2003jd003685, 2003.
DeMore, W. B., Sander, S. P., Golden, D. M., Hampson, R. F., Kurylo, M. J.,
Howard, C. J., Ravishankara, A. R., Kolb, C. E., and Molina, M. J.:
Chemical kinetics and photochemical data for use in stratospheric modeling,
Eval. 11, Natl. Aeronaut. and Space Admin., Jet Propul. Lab., 1994.
Dentener, F. J. and Crutzen, P. J.: Reaction of nitrogen pentoxide on
tropospheric aerosols: Impact on the global distributions of NOx,
ozone, and hydroxyl, J. Geophys. Res., 98, 7149–7163, 1993.
Diem, J. E. and Comrie, A. C.: Allocating anthropogenic pollutant
emissions over space: application to ozone pollution management, J.
Environ. Manag., 63, 425–447, 2001.
Du, E., Fenn, M. E., De Vries, W., and Ok, Y. S.: Atmospheric nitrogen
deposition to global forests: Status, impacts and management options,
Environ. Poll., 250, 1044–1048, https://doi.org/10.1016/j.envpol.2019.04.014, 2019.
Elliott, E. M., Kendall, C., Wankel, S. D., Burns, D. A., Boyer, E. W.,
Harlin, K., Bain, D. J., and Butler, T. J.: Nitrogen isotopes as indicators
of NOx source contributions to atmospheric nitrate deposition across the
Midwestern and northeastern United States, Environ. Sci. Technol., 41,
7661–7667, 2007.
Elliott, E. M., Kendall, C., Boyer, E. W., Burns, D. A., Lear, G. G.,
Golden, H. E., Harlin, K., Bytnerowicz, A., Butler, T. J., and Glatz, R.:
Dual nitrate isotopes in dry deposition: Utility for partitioning NOx
source contributions to landscape nitrogen deposition, J. Geophys. Res., 114, G04020, https://doi.org/10.1029/2008JG000889,
2009.
Elliott, E. M., Yu, Z., Cole, A. S., and Coughlin, J. G.: Isotopic advances
in understanding reactive nitrogen deposition and atmospheric processing,
Sci. Total Environ., 662, 393–403, https://doi.org/10.1016/j.scitotenv.2018.12.177,
2019.
Fang, H.: iNRACM: Incorporating 15N into the Regional Atmospheric Chemistry Mechanism (RACM) for assessing the role photochemistry plays in controlling the isotopic composition of NOx, NOy, and atmospheric nitrate (Version 1.0), Zenodo [code], https://doi.org/10.5281/zenodo.3834921, 2020.
Felix, J. D. and Elliott, E. M.: Isotopic composition of passively
collected nitrogen dioxide emissions: Vehicle, soil and livestock source
signatures, Atmos. Environ., 92, 359–366, https://doi.org/10.1016/j.atmosenv.2014.04.005,
2014.
Felix, J. D., Elliott, E. M., and Shaw, S. L.: Nitrogen Isotopic
Composition of Coal-Fired Power Plant NOx: Influence of Emission
Controls and Implications for Global Emission Inventories, Environ. Sci.
Technol., 46, 3528–3535, 2012.
Felix, J. D., Elliott, E. M., Avery, G. B., Kieber, R. J., Mead, R. N.,
Willey, J. D., and Mullaugh, K. M.: Isotopic composition of nitrate in
sequential Hurricane Irene precipitation samples: implications for changing
NOx sources, Atmos. Environ., 106, 191–195, 2015.
Fibiger, D. L., and Hastings, M. G.: First Measurements of the Nitrogen
Isotopic Composition of NOx from Biomass Burning, Environ. Sci. Technol.,
50, 11569–11574, https://doi.org/10.1021/acs.est.6b03510, 2016.
Finlayson-Pitts, B. J. and Pitts Jr., J. N.: Chemistry of the Upper and
Lower Atmosphere, Academic Press, San Diego, 2000.
Fowler, D., Coyle, M., Skiba, U., Sutton, M. A., Cape, J., Reis, S.,
Sheppard, L. J., Jenkins, A., Grizzetti, B., Galloway, J. N., Vitousek, P.,
Leach, A., Bouwman, A. F., Butterbach-Bahl, K., Dentener, F., Stevenson, D.,
Amann, M., and Voss, M.: The global nitrogen cycle in the twenty-first
century, Phil. T. Roy. Soc. B, 368, 20130164, https://doi.org/10.1098/rstb.2013.0164, 2013.
Freyer, H. D.: Seasonal variation of 15N/14N ratios in atmospheric
nitrate species, Tellus B, 43, 30–44, 1991.
Freyer, H. D., Kley, D., Volz-Thomas, A., and Kobel, K.: On the interaction
of isotopic exchange processes with photochemical-reactions in atmospheric
oxides of nitrogen, J. Geophys. Res., 98, 14791–14796,
https://doi.org/10.1029/93jd00874, 1993.
Galloway, J. N., Dentener, F. J., Capone, D. G., Boyer, E. W., Howarth, R.
W., Seitzinger, S. P., Asner, G. P., Cleveland, C. C., Green, P. A.,
Holland, E. A., Karl, D. M., Michaels, A. F., Porter, J. H., Townsend, A.
R., and Vorosmarty, C. J.: Nitrogen cycles: past, present, and future,
Biogeochemistry, 70, 153–226, 2004.
Golden, D. M. and Smith, G. P.: Reaction of OH + NO2+ M: A new
view, J. Phys. Chem. A, 104, 3991–3997, 2000.
Hall, J. V., Winer, A. M., Kleinman, M. T., Lurmann, F. W., Brajer, V., and
Colome, S. D.: Valuing the Health Benefits of Clean Air, Science, V255,
812–817, 1992.
Hastings, M. G., Sigman, D. M., and Lipschultz, F.: Isotopic evidence for
source changes of nitrate in rain at Bermuda, J. Geophys. Res.-Atmos.,
108, 4790, https://doi.org/10.1029/2003JD003789, 2003.
Hastings, M. G., Jarvis, J. C., and Steig, E. J.: Anthropogenic impacts on nitrogen
isotopes of ice-core nitrate, Science, 324, 1288–1288, 2009.
Hastings, M. G., Casciotti, K. L., and Elliott, E. M.: Stable Isotopes as
Tracers of Anthropogenic Nitrogen Sources, Deposition, and Impacts,
Elements, 9, 339–344, 2013.
Heaton, T. H. E.: 15N/14N ratios of nitrate and ammonium in rain
at Pretoria, South Africa, Atmos. Environ., 21, 843–852, 1987.
Hegglin, M. I., Brunner, D., Peter, T., Hoor, P., Fischer, H., Staehelin, J., Krebsbach, M., Schiller, C., Parchatka, U., and Weers, U.: Measurements of NO, NOy, N2O, and O3 during SPURT: implications for transport and chemistry in the lowermost stratosphere, Atmos. Chem. Phys., 6, 1331–1350, https://doi.org/10.5194/acp-6-1331-2006, 2006.
Horowitz, L. W., Liang, J., Gardner, G. M., and Jacob, D. J.: Export of
reactive nitrogen from North America during summertime: sensitivity to
hydrocarbon chemistry, J. Geophys. Res., 103, 13451–13476, 1998.
Houlton, B. Z., Boyer, E., Finzi, A. C., Galloway, J., Leach, A., Liptzin,
D., Melillo, J., Rosenstock, T. S., Sobota, D., and Townsend, A. R.:
Intentional versus unintentional nitrogen use in the United States: trends,
efficiency and implications, Biogeochemistry, 114, 11–23, 2013.
Hoyle, C. R., Boy, M., Donahue, N. M., Fry, J. L., Glasius, M., Guenther, A., Hallar, A. G., Huff Hartz, K., Petters, M. D., Petäjä, T., Rosenoern, T., and Sullivan, A. P.: A review of the anthropogenic influence on biogenic secondary organic aerosol, Atmos. Chem. Phys., 11, 321–343, https://doi.org/10.5194/acp-11-321-2011, 2011.
Hudman, R. C., Moore, N. E., Mebust, A. K., Martin, R. V., Russell, A. R., Valin, L. C., and Cohen, R. C.: Steps towards a mechanistic model of global soil nitric oxide emissions: implementation and space based-constraints, Atmos. Chem. Phys., 12, 7779–7795, https://doi.org/10.5194/acp-12-7779-2012, 2012.
Kastler, J. and Ballschmiter, K.: Bifunctional alkyl nitrates–trace
constituents of the atmosphere, J. Anal. Chem., 360,
812–816, 1998.
Kuang, C., Riipinen, I., Sihto, S.-L., Kulmala, M., McCormick, A. V., and McMurry, P. H.: An improved criterion for new particle formation in diverse atmospheric environments, Atmos. Chem. Phys., 10, 8469–8480, https://doi.org/10.5194/acp-10-8469-2010, 2010.
Lajtha, K. and Jones, J.: Trends in cation, nitrogen, sulfate and hydrogen
ion concentrations in precipitation in the United States and Europe from
1978 to 2010: a new look at an old problem, Biogeochemistry, 116, 303–334,
https://doi.org/10.1007/s10533-013-9860-2, 2013.
Lee, S. H., Uin, J., Guenther, A. B., de Gouw, J. A., Yu, F. Q., Nadykto, A.
B., Herb, J., Ng, N. L., Koss, A., Brune, W. H., Baumann, K., Kanawade, V.
P., Keutsch, F. N., Nenes, A., Olsen, K., Goldstein, A., and Ouyang, Q.:
Isoprene suppression of new particle formation: Potential mechanisms and
implications, J. Geophys. Res., 121, 14621–14635, 2016.
Lelieveld, J., Butler, T. M., Crowley, J. N., Dillon, T. J., Fischer, H.,
Ganzeveld, L., Harder, H., Lawrence, M. G., Martinez, M., Taraborrelli, D.,
and Williams, J.: Atmospheric oxidation capacity sustained by a tropical
forest, Nature, 452, 737–740, 2008.
Liang, M. C., Blake, G. A., and Yung, Y. L.: A semianalytic model for
photo-induced isotopic fractionation in simple molecules, J. Geophys. Res.,
109, D10308, https://doi.org/10.1029/2004JD004539, 2004.
Ma, J., Liu, Y., Han, C., Ma, Q., Liu, C., and He, H.: Review of
heterogeneous photochemical reactions of NOy on aerosol – A possible
daytime source of nitrous acid (HONO) in the atmosphere, J. Environ. Sci. China,
25, 326–334, https://doi.org/10.1016/s1001-0742(12)60093-x, 2013.
Madronich, S.: Photodissociation in the atmosphere: 1. Actinic flux and the
effects of ground reflections and clouds, J. Geophys. Res., 92,
9740–9752, 1987.
McMurry, P. H., Fink, M., Sakurai, H., Stolzenburg, M. R., Mauldin, R. L.,
Smith, J., Eisele, F., Moore, K., Sjostedt, S., Tanner, D., Huey, L. G.,
Nowak, J. B., Edgerton, E., and Voisin, D.: A criterion for new particle
formation in the sulfur-rich Atlanta atmosphere, J. Geophys. Res., 110, D22S02, https://doi.org/:10.1029/2005JD005901,
2005.
Michalski, G., Jost, R., Sugny, D., Joyeux, M., and Thiemens, M.:
Dissociation energies of six NO2 isotopologues by laser induced
fluorescence and zero point energy of some triatomic molecules, J. Chem.
Phys., 121, 7153–7161, 2004.
Miller, C. E. and Yung, Y. L.: Photo-induced isotopic fractionation, J. Geophys. Res., 105, 29039–29051, 2000.
Monks, P. S.: Gas-phase radical chemistry in the troposphere, Chem. Soc. Rev., 34, 376–395, https://doi.org/10.1039/b307982c, 2005.
Moore, H.: The isotopic composition of ammonia, nitrogen dioxide and nitrate
in the atmosphere, Atmos. Environ., 11, 1239–1243, 1977.
Morino, Y., Kondo, Y., Takegawa, N., Miyazaki, Y., Kita, K., Komazaki, Y.,
Fukuda, M., Miyakawa, T., Moteki, N., and Worsnop, D. R.: Partitioning of
HNO3 and particulate nitrate over Tokyo: Effect of vertical mixing, J. Geophys. Res., 111, D15215, https://doi.org/10.1029/2005jd006887, 2006.
Pan, Y., Tian, S., Liu, D., Fang, Y., Zhu, X., Gao, M., Gregory, G. R., Michalski, G., Huang, X., and Wang, Y.:
Source Apportionment of Aerosol Ammonium in an Ammonia-Rich Atmosphere: An
Isotopic Study of Summer Clean and Hazy Days in Urban Beijing, J. Geophys. Res., 123, 5681–5689, https://doi.org/10.1029/2017jd028095, 2018.
Paulot, F., Ginoux, P., Cooke, W. F., Donner, L. J., Fan, S., Lin, M.-Y., Mao, J., Naik, V., and Horowitz, L. W.: Sensitivity of nitrate aerosols to ammonia emissions and to nitrate chemistry: implications for present and future nitrate optical depth, Atmos. Chem. Phys., 16, 1459–1477, https://doi.org/10.5194/acp-16-1459-2016, 2016.
Pilegaard, K.: Processes regulating nitric oxide emissions from soils, Philos.
T. R. Soc. B, 368, 20130126, https://doi.org/10.1098/rstb.2013.0126, 2013.
Platt, U. F., Winer, A. M., Biermann, H. W., Atkinson, R., and Pitts, J.
N.: Measurement of Nitrate Radical Concentrations in Continental Air, Environ.
Sci. Technol., 18, 365–369, 1984.
Prinn, R. G.: The cleansing capacity of the atmosphere, Ann. Rev. Env.
Res., 28, 29–57, 2003.
Pusede, S. E., Duffey, K. C., Shusterman, A. A., Saleh, A., Laughner, J. L., Wooldridge, P. J., Zhang, Q., Parworth, C. L., Kim, H., Capps, S. L., Valin, L. C., Cappa, C. D., Fried, A., Walega, J., Nowak, J. B., Weinheimer, A. J., Hoff, R. M., Berkoff, T. A., Beyersdorf, A. J., Olson, J., Crawford, J. H., and Cohen, R. C.: On the effectiveness of nitrogen oxide reductions as a control over ammonium nitrate aerosol, Atmos. Chem. Phys., 16, 2575–2596, https://doi.org/10.5194/acp-16-2575-2016, 2016.
Pye, H. O. T., Chan, A. W. H., Barkley, M. P., and Seinfeld, J. H.: Global modeling of organic aerosol: the importance of reactive nitrogen (NOx and NO3), Atmos. Chem. Phys., 10, 11261–11276, https://doi.org/10.5194/acp-10-11261-2010, 2010.
Richet, P., Bottinga, Y., and Javoy, M.: Review of hydrogen, carbon,
nitrogen, oxygen, sulfur, and chlorine stable isotope fractionation among
gaseous molecules, Annu. Rev. Earth Planet. Sci., 5, 65–110, 1977.
Riemer, N., Vogel, H., Vogel, B., Schell, B., Ackermann, I., Kessler, C.,
and Hass, H.: Impact of the heterogeneous hydrolysis of N2O5 on
chemistry and nitrate aerosol formation in the lower troposphere under
photosmog conditions, J. Geophys. Res., 108, 4144,
https://doi.org/10.1029/2002JD002436, 2003.
Riemer, N., Vogel, H., Vogel, B., Anttila, T., Kiendler-Scharr, A., and
Mentel, T. F.: Relative importance of organic coatings for the heterogeneous
hydrolysis of N2O5 during summer in Europe, J. Geophys. Res.,
114, https://doi.org/10.1029/2008JD011369, 2009.
Riha, K. M.: The use of stable isotopes to constrain the nitrogen cycle,
PhD Dissertation, Purdue University, West Lafayette, IN, 2013.
Roehl, C. M., Orlando, J. J., Tyndall, G. S., Shetter, R. E., Vazquez, G.
J., Cantrell, C. A., and Calvert, J. G.: Temperature-dependence of the
quantum yields for the photolysis of NO2 near the dissociation limit,
J. Phys. Chem., 98, 7837–7843, https://doi.org/10.1021/j100083a015, 1994.
Romer, P. S., Duffey, K. C., Wooldridge, P. J., Allen, H. M., Ayres, B. R., Brown, S. S., Brune, W. H., Crounse, J. D., de Gouw, J., Draper, D. C., Feiner, P. A., Fry, J. L., Goldstein, A. H., Koss, A., Misztal, P. K., Nguyen, T. B., Olson, K., Teng, A. P., Wennberg, P. O., Wild, R. J., Zhang, L., and Cohen, R. C.: The lifetime of nitrogen oxides in an isoprene-dominated forest, Atmos. Chem. Phys., 16, 7623–7637, https://doi.org/10.5194/acp-16-7623-2016, 2016.
Rose, L. A., Yu, Z., Bain, D. J., and Elliott, E. M.: High resolution,
extreme isotopic variability of precipitation nitrate, Atmos. Environ., 207,
63–74, 2019.
Savard, M. M., Cole, A., Smirnoff, A., and Vet, R.: δ15N
values of atmospheric N species simultaneously collected using sector-based
samplers distant from sources–Isotopic inheritance and fractionation, Atmos. Environ., 162, 11–22, 2017.
Seinfeld, J. H. and Pandis, S. N.: Atmospheric composition,
global cycles, and lifetimes, Atmospheric chemistry and
physics: From air pollution to climate change, 2, 98–101, 1998.
Seinfeld, J. H. and Pandis, S. N.: Atmospheric Chemistry and Physics: from
air pollution to climate change, John Wiley & Sons, 2016.
Sharma, H. D., Jervis, R. E., and Wong, K. Y.: Isotopic exchange reactions
in nitrogen oxides, J. Phys. Chem., 74, 923–933, 1970.
Shrivastava, M., Cappa, C. D., Fan, J. W., Goldstein, A. H., Guenther, A.
B., Jimenez, J. L., Kuang, C., Laskin, A., Martin, S. T., Ng, N. L., Petaja,
T., Pierce, J. R., Rasch, P. J., Roldin, P., Seinfeld, J. H., Shilling, J.,
Smith, J. N., Thornton, J. A., Volkamer, R., Wang, J., Worsnop, D. R.,
Zaveri, R. A., Zelenyuk, A., and Zhang, Q.: Recent advances in understanding
secondary organic aerosol: Implications for global climate forcing, Rev.
Geophys., 55, 509–559, 2017.
Snyder, J. A., Hanway, D., Mendez, J., Jamka, A. J., and Tao, F. M.: A
density functional theory study of the gas-phase hydrolysis of dinitrogen
pentoxide, J. Phys. Chem. A, 103, 9355–9358, 1999.
Spak, S. N. and Holloway, T.: Seasonality of speciated aerosol transport
over the Great Lakes region, J. Geophys. Res., 114, D08302, https://doi.org/10.1029/2008JD010598, 2009.
Srivastava, R. K., Neuffer, W., Grano, D., Khan, S., Staudt, J. E., and
Jozewicz, W.: Controlling NOx emission from industrial sources, Environ.
Prog., 24, 181–197, 2005.
Stockwell, W. R., Middleton, P., Chang, J. S., and Tang, X.: The second
generation regional acid deposition model chemical mechanism for regional
air quality modeling, J. Geophys. Res., 95, 16343–16367, 1990.
Stockwell, W. R., Kirchner, F., Kuhn, M., and Seefeld, S.: A new mechanism
for regional atmospheric chemistry modeling, J. Geophys. Res., 102,
25847–25879, 1997.
Urey, H. C.: Thermodynamic properties of isotopic substances, J. Chem. Soc.,
562–581, 1947.
Vandaele, A. C., Hermans, C., Fally, S., Carleer, M., Colin, R., Merienne,
M. F., Jenouvrier, A., and Coquart, B.: High-resolution Fourier transform
measurement of the NO2 visible and near-infrared absorption cross
sections: Temperature and pressure effects, J. Geophys. Res., 107, 4348,
https://doi.org/10.1029/2001jd000971, 2002.
Van Hook, W. A., Rebelo, L. P. N., and Wolfsberg, M.: An interpretation of
the vapor phase second virial coefficient isotope effect: Correlation of
virial coefficient and vapor pressure isotope effects, J. Phys. Chem. A,
105, 9284–9297, https://doi.org/10.1021/jp004302z, 2001.
Walters, W. W. and Michalski, G.: Theoretical calculation of nitrogen
isotope equilibrium exchange fractionation factors for various NOy
molecules, Geochim. Cosmochim. Ac., 164, 284–297,
https://doi.org/10.1016/j.gca.2015.05.029, 2015.
Walters, W. W. and Michalski, G.: Ab initio study of nitrogen and
position-specific oxygen kinetic isotope effects in the NO + O3
reaction, J. Chem. Phys., 145, 224311, https://doi.org/10.1063/1.4968562, 2016.
Walters, W. W., Goodwin, S. R., and Michalski, G.: Nitrogen Stable Isotope
Composition of Vehile Emitted NOx, Environ. Sci. Technol., 49,
2278–2285, 2015a.
Walters, W. W., Tharp, B. D., Fang, H., Kozak, B. J., and Michalski, G.:
Nitrogen Isotope Composition of Thermally Produced NOx from Various
Fossil-Fuel Combustion Sources, Environ. Sci. Technol., 49, 11363–11371,
https://doi.org/10.1021/acs.est.5b02769, 2015b.
Walters, W. W., Simonini, D. S., and Michalski, G.: Nitrogen isotope
exchange between NO and NO2 and its implications for 15N
variations in tropospheric NOx and atmospheric nitrate, Geophys. Res.
Lett., 43, 440–448, https://doi.org/10.1002/2015gl066438, 2016.
Walters, W. W., Fang, H., and Michalski, G.: Summertime diurnal variations
in the isotopic composition of atmospheric nitrogen dioxide at a small
midwestern United States city, Atmos. Environ., 179, 1–11,
https://doi.org/10.1016/j.atmosenv.2018.01.047, 2018.
Wolfsberg, M.: Note on secondary isotope effects in reaction rates, J. Chem.
Phys., 33, 2–6, https://doi.org/10.1063/1.1731078, 1960.
Wolfsberg, M., Van Hook, W. A., and Paneth, P.: Isotope effects on
equilibrium constants of chemical reactions; transition state theory of
isotope effects, in: Isotope Effects, Springer, Dordrecht, 77–137, 2010.
Yu, Z. and Elliott, E. M.: Novel method for nitrogen isotopic analysis of
soil-emitted nitric oxide, Environ. Sci. Technol., 51, 6268–6278, 2017.
Yung, Y. L. and Miller, C. E.: Isotopic fractionation of
stratospheric nitrous oxide, Science, 278, 1778–1780, 1997.
Yvon, S. A., Plane, J. M. C., Nien, C. F., Cooper, D. J., and Saltzman, E. S.:
Interaction between nitrogen and sulfur cycles in the polluted marine
boundary layer, J. Geophys. Res.-Atmos., 101,
1379–1386, 1996.
Zhang, Y., Vijayaraghavan, K., Wen, X. Y., Snell, H. E., and Jacobson, M.
Z.: Probing into regional ozone and particulate matter pollution in the
United States: 1. A 1-year CMAQ simulation and evaluation using surface and
satellite data, J. Geophys. Res., 114, D22304, https://doi.org/10.1029/2009JD011898, 2009.
Short summary
A new photochemical reaction scheme that incorporates nitrogen isotopes has been developed to simulate isotope tracers in air pollution. The model contains 16 N compounds, and 96 reactions involving N used in the Regional Atmospheric Chemistry Mechanism (RACM) were replicated using 15N in a new mechanism called iNRACM. The model is able to predict d15N variations in NOx, HONO, and HNO3 that are similar to those observed in aerosol and gases in the troposphere.
A new photochemical reaction scheme that incorporates nitrogen isotopes has been developed to...