Articles | Volume 14, issue 2
https://doi.org/10.5194/gmd-14-675-2021
© 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-14-675-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Model description paper
| 
02 Feb 2021
Model description paper |
| 02 Feb 2021
PyCHAM (v2.1.1): a Python box model for simulating aerosol chambers
Simon Patrick O'Meara
Department for Earth and Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK
National Centre for Atmospheric Science, University of Manchester, Manchester, M13 9PL, UK
Shuxuan Xu
Department for Earth and Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK
David Topping
Department for Earth and Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK
M. Rami Alfarra
Department for Earth and Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK
National Centre for Atmospheric Science, University of Manchester, Manchester, M13 9PL, UK
Gerard Capes
Research Computing Services, University of Manchester, Manchester, M13 9PL, UK
Douglas Lowe
Research Computing Services, University of Manchester, Manchester, M13 9PL, UK
Yunqi Shao
Department for Earth and Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK
Gordon McFiggans
CORRESPONDING AUTHOR
Department for Earth and Environmental Sciences, University of Manchester, Manchester, M13 9PL, UK
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Ying Chen, Oliver Wild, Edmund Ryan, Saroj Kumar Sahu, Douglas Lowe, Scott Archer-Nicholls, Yu Wang, Gordon McFiggans, Tabish Ansari, Vikas Singh, Ranjeet S. Sokhi, Alex Archibald, and Gufran Beig
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Laura Kiely, Dominick V. Spracklen, Christine Wiedinmyer, Luke Conibear, Carly L. Reddington, Scott Archer-Nicholls, Douglas Lowe, Stephen R. Arnold, Christoph Knote, Md Firoz Khan, Mohd Talib Latif, Mikinori Kuwata, Sri Hapsari Budisulistiorini, and Lailan Syaufina
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APHH-Beijing is a collaborative international research programme to study the sources, processes and health effects of air pollution in Beijing. This introduction to the special issue provides an overview of (i) the APHH-Beijing programme, (ii) the measurement and modelling activities performed as part of it and (iii) the air quality and meteorological conditions during joint intensive field campaigns as a core activity within APHH-Beijing.
Eoghan Darbyshire, William T. Morgan, James D. Allan, Dantong Liu, Michael J. Flynn, James R. Dorsey, Sebastian J. O'Shea, Douglas Lowe, Kate Szpek, Franco Marenco, Ben T. Johnson, Stephane Bauguitte, Jim M. Haywood, Joel F. Brito, Paulo Artaxo, Karla M. Longo, and Hugh Coe
Atmos. Chem. Phys., 19, 5771–5790, https://doi.org/10.5194/acp-19-5771-2019, https://doi.org/10.5194/acp-19-5771-2019, 2019
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A novel analysis of aerosol and gas-phase vertical profiles shows a marked regional pollution contrast: composition is driven by the fire regime and vertical distribution is driven by thermodynamics. These drivers ought to be well represented in simulations to ensure realistic prediction of climate and air quality impacts. The BC : CO ratio in haze and plumes increases with altitude – long-range transport or fire stage coupled to plume dynamics may be responsible. Further enquiry is advocated.
Thomas J. Bannan, Michael Le Breton, Michael Priestley, Stephen D. Worrall, Asan Bacak, Nicholas A. Marsden, Archit Mehra, Julia Hammes, Mattias Hallquist, M. Rami Alfarra, Ulrich K. Krieger, Jonathan P. Reid, John Jayne, Wade Robinson, Gordon McFiggans, Hugh Coe, Carl J. Percival, and Dave Topping
Atmos. Meas. Tech., 12, 1429–1439, https://doi.org/10.5194/amt-12-1429-2019, https://doi.org/10.5194/amt-12-1429-2019, 2019
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The Filter Inlet for Gases and AEROsols (FIGAERO) is an inlet designed to be coupled with a high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) and provides simultaneous molecular information relating to both the gas- and particle-phase samples. This method has been used to extract vapour pressures of compounds whilst giving quantitative concentrations in the particle phase. Here we detail an ideal set of benchmark compounds for characterization of the FIGAERO.
Elizabeth Forde, Martin Gallagher, Virginia Foot, Roland Sarda-Esteve, Ian Crawford, Paul Kaye, Warren Stanley, and David Topping
Atmos. Chem. Phys., 19, 1665–1684, https://doi.org/10.5194/acp-19-1665-2019, https://doi.org/10.5194/acp-19-1665-2019, 2019
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The abundance and diversity of airborne biological particles in different environments remains poorly constrained. Measurements of such particles were conducted at four sites in the United Kingdom, using real-time fluorescence instrumentation. Using local land cover types, sources of suspected particle types were identified and compared. Most sites exhibited a wet-discharged fungal spore dominance, with the exception of one site, which was inferred to be influenced by a local dairy farm.
Simon Ruske, David O. Topping, Virginia E. Foot, Andrew P. Morse, and Martin W. Gallagher
Atmos. Meas. Tech., 11, 6203–6230, https://doi.org/10.5194/amt-11-6203-2018, https://doi.org/10.5194/amt-11-6203-2018, 2018
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Pollen, bacteria and fungal spores are common in the environment, can have very important implications for public health and may influence the weather. Biological sensors potentially could be used to monitor quantities of these types of particles. However, it is important to transform the measurements from these instruments into counts of these biological particles. The paper tests a variety of approaches for achieving this aim on data collected in a laboratory.
Dawei Hu, David Topping, and Gordon McFiggans
Atmos. Chem. Phys., 18, 14925–14937, https://doi.org/10.5194/acp-18-14925-2018, https://doi.org/10.5194/acp-18-14925-2018, 2018
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Co-condensation of inorganic or organic vapours on growing droplets could significantly enhance both CCN and cloud droplet number concentration, thereby influencing climate. Until now, there has been very few direct observational evidence of this process. We exposed involatile inorganic particles to a moist atmosphere containing a controlled amount of an organic semi-volatile vapour. We measured a much greater growth of the particles than if they had only been exposed to water vapour.
Matthew Crooks, Paul Connolly, and Gordon McFiggans
Geosci. Model Dev., 11, 3261–3278, https://doi.org/10.5194/gmd-11-3261-2018, https://doi.org/10.5194/gmd-11-3261-2018, 2018
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Clouds form when water condenses onto particles in the atmosphere and the size and chemical composition of these particles can have a large influence over how much water condenses and the subsequent formation of cloud. Additional gases exist in the atmosphere that can condense onto the aerosol particles and change their composition. We present a fast and efficient method of calculating the effect of atmospheric gases on the formation of cloud that can be used in climate and weather models.
Kelly L. Pereira, Rachel Dunmore, James Whitehead, M. Rami Alfarra, James D. Allan, Mohammed S. Alam, Roy M. Harrison, Gordon McFiggans, and Jacqueline F. Hamilton
Atmos. Chem. Phys., 18, 11073–11096, https://doi.org/10.5194/acp-18-11073-2018, https://doi.org/10.5194/acp-18-11073-2018, 2018
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Exhaust emissions from a light-duty diesel engine were introduced into an atmospheric simulation chamber which was used as a holding-cell for sampling, allowing instruments capable of providing detailed chemical speciation of exhaust gas emissions to be used. The effect of different engine conditions on the exhaust gas composition was investigated. The exhaust composition changed considerably due to two influencing factors, engine combustion and diesel oxidative catalyst efficiency.
Michael Le Breton, Yujue Wang, Åsa M. Hallquist, Ravi Kant Pathak, Jing Zheng, Yudong Yang, Dongjie Shang, Marianne Glasius, Thomas J. Bannan, Qianyun Liu, Chak K. Chan, Carl J. Percival, Wenfei Zhu, Shengrong Lou, David Topping, Yuchen Wang, Jianzhen Yu, Keding Lu, Song Guo, Min Hu, and Mattias Hallquist
Atmos. Chem. Phys., 18, 10355–10371, https://doi.org/10.5194/acp-18-10355-2018, https://doi.org/10.5194/acp-18-10355-2018, 2018
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This paper utilizes a chemical ionisation mass spectrometer measuring gas and particle-phase organosulfates (OS) simultaneously during a field campaign in Beijing, China, and highlights how high time frequency online measurements enable a detailed analysis of dominant production mechanisms. We find that high aerosol acidity, organic precursor concentration and relative humidity promote the production of OS. The thermogram desorption reveals the potential for semi-volatile gas-phase OS.
Wiebke Frey, Dawei Hu, James Dorsey, M. Rami Alfarra, Aki Pajunoja, Annele Virtanen, Paul Connolly, and Gordon McFiggans
Atmos. Chem. Phys., 18, 9393–9409, https://doi.org/10.5194/acp-18-9393-2018, https://doi.org/10.5194/acp-18-9393-2018, 2018
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The coupled system of the Manchester Aerosol Chamber and Manchester Ice Cloud Chamber was used to study the ice-forming abilities of secondary
organic aerosol particles under mixed-phase cloud conditions. Given the vast abundance of secondary organic particles in the atmosphere, they
might present an important contribution to ice-nucleating particles. However, we find that in the studied temperature range (20 to 28 °C)
the secondary organic particles do not nucleate ice particles.
Emma L. Simpson, Paul J. Connolly, and Gordon McFiggans
Atmos. Chem. Phys., 18, 7237–7250, https://doi.org/10.5194/acp-18-7237-2018, https://doi.org/10.5194/acp-18-7237-2018, 2018
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This study explores the process of ice formation in clouds by conducting computer model simulations and laboratory experiments in a cloud chamber. We show that the formation of ice in clouds can be limited by the presence of atmospheric aerosol particles and that further research is required to identify the requirements for freezing, e.g. minimum mass of water, in order to accurately calculate ice formation and thus improve climate and weather prediction.
Stefano Decesari, Simona Kovarich, Manuela Pavan, Arianna Bassan, Andrea Ciacci, and David Topping
Atmos. Chem. Phys., 18, 2329–2340, https://doi.org/10.5194/acp-18-2329-2018, https://doi.org/10.5194/acp-18-2329-2018, 2018
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Particulate matter (PM) chemical composition includes thousands of individual organic compounds that have never been tested for their toxicological potential. Computational (in silico) screenings represent a promising approach to identify new target compounds for more in-depth toxicological analyses. We provide here a proof-of-concept evaluation based on ca. 100 aerosol organic compounds. Reliable toxicological predictions were obtained for more than 80 % of them.
Kathryn Fowler, Paul J. Connolly, David O. Topping, and Simon O'Meara
Atmos. Chem. Phys., 18, 1629–1642, https://doi.org/10.5194/acp-18-1629-2018, https://doi.org/10.5194/acp-18-1629-2018, 2018
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This is the first time the Maxwell–Stefan framework has been applied to an atmospheric aerosol core–shell model and shows that there is a complex interplay between the viscous and solubility effects on aerosol composition. Understanding aerosol composition is essential to accurately model their interactions within atmospheric systems. We use simple binary systems to demonstrate how viscosity and solubility both play a role in affecting the rate of diffusion through aerosol particles.
Ulrich K. Krieger, Franziska Siegrist, Claudia Marcolli, Eva U. Emanuelsson, Freya M. Gøbel, Merete Bilde, Aleksandra Marsh, Jonathan P. Reid, Andrew J. Huisman, Ilona Riipinen, Noora Hyttinen, Nanna Myllys, Theo Kurtén, Thomas Bannan, Carl J. Percival, and David Topping
Atmos. Meas. Tech., 11, 49–63, https://doi.org/10.5194/amt-11-49-2018, https://doi.org/10.5194/amt-11-49-2018, 2018
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Vapor pressures of low-volatility organic molecules at atmospheric temperatures reported in the literature often differ by several orders of magnitude between measurement techniques. These discrepancies exceed the stated uncertainty of each technique, which is generally reported to be smaller than a factor of 2. We determined saturation vapor pressures for the homologous series of polyethylene glycols ranging in vapor pressure at 298 K from 1E−7 Pa to 5E−2 Pa as a reference set.
Simon O'Meara, David O. Topping, Rahul A. Zaveri, and Gordon McFiggans
Atmos. Chem. Phys., 17, 10477–10494, https://doi.org/10.5194/acp-17-10477-2017, https://doi.org/10.5194/acp-17-10477-2017, 2017
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To simulate particle-phase diffusion, an analytical expression is desired because it takes less calculation time than a differential equation. Here a correction is found for the analytical solution for when diffusivity is dependent on composition, thereby making it more widely applicable than before. Consequently, we are able to more realistically evaluate the rate limitation (if any) imposed by particle-phase diffusion on component partitioning between the gas and particle phase.
David O. Topping, James Allan, M. Rami Alfarra, and Bernard Aumont
Geosci. Model Dev., 10, 2365–2377, https://doi.org/10.5194/gmd-10-2365-2017, https://doi.org/10.5194/gmd-10-2365-2017, 2017
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Our ability to model the chemical and thermodynamic processes that lead to secondary organic aerosol (SOA) formation is thought to be hampered by the complexity of the system. In this proof of concept study, the ability to train supervised methods to predict electron impact ionisation (EI) mass spectra for the AMS is evaluated to facilitate improved model evaluation. The study demonstrates the use of a methodology that would be improved with more training data and data from simple mixed systems.
Huan Yao, Yu Song, Mingxu Liu, Scott Archer-Nicholls, Douglas Lowe, Gordon McFiggans, Tingting Xu, Pin Du, Jianfeng Li, Yusheng Wu, Min Hu, Chun Zhao, and Tong Zhu
Atmos. Chem. Phys., 17, 5205–5219, https://doi.org/10.5194/acp-17-5205-2017, https://doi.org/10.5194/acp-17-5205-2017, 2017
Simon Ruske, David O. Topping, Virginia E. Foot, Paul H. Kaye, Warren R. Stanley, Ian Crawford, Andrew P. Morse, and Martin W. Gallagher
Atmos. Meas. Tech., 10, 695–708, https://doi.org/10.5194/amt-10-695-2017, https://doi.org/10.5194/amt-10-695-2017, 2017
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Particles such as bacteria, pollen and fungal spores have important implications within the environment and public health sectors. Here we evaluate the performance of various different methods for distinguishing between these different types of particles using a new instrument. We demonstrate that there may be better alternatives to the currently used methods which can be further investigated in future research.
François Benduhn, Graham W. Mann, Kirsty J. Pringle, David O. Topping, Gordon McFiggans, and Kenneth S. Carslaw
Geosci. Model Dev., 9, 3875–3906, https://doi.org/10.5194/gmd-9-3875-2016, https://doi.org/10.5194/gmd-9-3875-2016, 2016
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We present a new mathematical formalism that serves to represent exchanges of inorganic matter between the atmosphere gas phase and the aerosol aqueous phase. In a global modelling framework, taking into account these processes may help represent many important features more accurately, such as the formation of cloud droplets or the radiative properties of the atmosphere. The formalism strives to keep an appropriate balance between accuracy and computation efficiency requirements.
Matthew Crooks, Paul Connolly, David Topping, and Gordon McFiggans
Geosci. Model Dev., 9, 3617–3637, https://doi.org/10.5194/gmd-9-3617-2016, https://doi.org/10.5194/gmd-9-3617-2016, 2016
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Semi-volatile compounds, like water, can exist in both vapour phases and condensed phases within a system. This paper presents a method of calculating the condensed and vapour phases of semi-volatile compounds at equilibrium, in particular, when the condensed mass occurs within particles of different sizes and chemical composition. The applications of interest to the authors are those of atmospheric importance such as cloud droplet formation and reflection or absorption of solar radiation.
Samuel Lowe, Daniel G. Partridge, David Topping, and Philip Stier
Atmos. Chem. Phys., 16, 10941–10963, https://doi.org/10.5194/acp-16-10941-2016, https://doi.org/10.5194/acp-16-10941-2016, 2016
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A novel inverse modelling framework is developed for analysing the sensitivity of cloud condensation nuclei (CCN) concentrations to simultaneous perturbations in multiple model parameters at atmospherically relevant humidities. Many parameter interactions are identified and CCN concentrations are found to be relatively insensitive to bulk–surface partitioning, while aerosol concentration, surface tension, composition and solution ideality exhibit a higher degree of sensitivity.
James D. Whitehead, Eoghan Darbyshire, Joel Brito, Henrique M. J. Barbosa, Ian Crawford, Rafael Stern, Martin W. Gallagher, Paul H. Kaye, James D. Allan, Hugh Coe, Paulo Artaxo, and Gordon McFiggans
Atmos. Chem. Phys., 16, 9727–9743, https://doi.org/10.5194/acp-16-9727-2016, https://doi.org/10.5194/acp-16-9727-2016, 2016
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We present measurements of aerosols during the transition from wet to dry seasons at a pristine rainforest site in central Amazonia. By excluding pollution episodes, we focus on natural biogenic aerosols. Submicron aerosols are dominated by organic material, similar to previous wet season measurements. Larger particles are dominated by biological material, mostly fungal spores, with higher concentrations at night. This study provides important data on the nature of particles above the Amazon.
Scott Archer-Nicholls, Douglas Lowe, David M. Schultz, and Gordon McFiggans
Atmos. Chem. Phys., 16, 5573–5594, https://doi.org/10.5194/acp-16-5573-2016, https://doi.org/10.5194/acp-16-5573-2016, 2016
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The response of the Weather Research and Forecasting model with Chemistry to forcings by biomass burning aerosol were investigated in high-resolution nested domains over Brazil. The aerosol-layer was found to have a negative direct effect at the top of the atmosphere, but this was largely cancelled by a semi-direct effect which inhibited afternoon cloud formation. The cloud response to the aerosol was found to be highly sensitive to model resolution and the use of convective parameterisation.
Simon O'Meara, David O. Topping, and Gordon McFiggans
Atmos. Chem. Phys., 16, 5299–5313, https://doi.org/10.5194/acp-16-5299-2016, https://doi.org/10.5194/acp-16-5299-2016, 2016
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To understand the effect of atmospheric particulate matter on climate and human health we need to know how it evolves. We investigate how best to estimate diffusion of components through particles by comparing diffusion times from three approaches to solving Fick's Law and find that they agree. This means that scientists can simulate Fickian diffusion through atmospheric particles using the approach best suited to their requirements and have confidence that their model is mathematically sound.
David Topping, Mark Barley, Michael K. Bane, Nicholas Higham, Bernard Aumont, Nicholas Dingle, and Gordon McFiggans
Geosci. Model Dev., 9, 899–914, https://doi.org/10.5194/gmd-9-899-2016, https://doi.org/10.5194/gmd-9-899-2016, 2016
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In this paper we describe the development and application of a new web-based and open-source facility, UManSysProp (http://umansysprop .seaes.manchester.ac.uk), for automating predictions of molecular and atmospheric aerosol properties. Current facilities include pure component vapour pressures, critical properties, and sub-cooled densities of organic molecules; activity coefficient predictions for mixed inorganic-organic liquid systems; hygroscopic growth factors and CCN activation potential.
I. Crawford, S. Ruske, D. O. Topping, and M. W. Gallagher
Atmos. Meas. Tech., 8, 4979–4991, https://doi.org/10.5194/amt-8-4979-2015, https://doi.org/10.5194/amt-8-4979-2015, 2015
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HCA analysis methods were evaluated for the purpose of identifying primary biological aerosol sampled with a WIBS. The ward linkage with z-score normalisation could discriminate between five test particles with 98% accuracy. We applied these methods to a previously studied ambient data set, where both methods produced similar results with some minor differences in cluster partitioning. Finally we compared to previous approaches and found our new method offered improved quantification of PBA.
M. Paramonov, V.-M. Kerminen, M. Gysel, P. P. Aalto, M. O. Andreae, E. Asmi, U. Baltensperger, A. Bougiatioti, D. Brus, G. P. Frank, N. Good, S. S. Gunthe, L. Hao, M. Irwin, A. Jaatinen, Z. Jurányi, S. M. King, A. Kortelainen, A. Kristensson, H. Lihavainen, M. Kulmala, U. Lohmann, S. T. Martin, G. McFiggans, N. Mihalopoulos, A. Nenes, C. D. O'Dowd, J. Ovadnevaite, T. Petäjä, U. Pöschl, G. C. Roberts, D. Rose, B. Svenningsson, E. Swietlicki, E. Weingartner, J. Whitehead, A. Wiedensohler, C. Wittbom, and B. Sierau
Atmos. Chem. Phys., 15, 12211–12229, https://doi.org/10.5194/acp-15-12211-2015, https://doi.org/10.5194/acp-15-12211-2015, 2015
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The research paper presents the first comprehensive overview of field measurements with the CCN Counter performed at a large number of locations around the world within the EUCAARI framework. The paper sheds light on the CCN number concentrations and activated fractions around the world and their dependence on the water vapour supersaturation ratio, the dependence of aerosol hygroscopicity on particle size, and seasonal and diurnal variation of CCN activation and hygroscopic properties.
K. P. Wyche, P. S. Monks, K. L. Smallbone, J. F. Hamilton, M. R. Alfarra, A. R. Rickard, G. B. McFiggans, M. E. Jenkin, W. J. Bloss, A. C. Ryan, C. N. Hewitt, and A. R. MacKenzie
Atmos. Chem. Phys., 15, 8077–8100, https://doi.org/10.5194/acp-15-8077-2015, https://doi.org/10.5194/acp-15-8077-2015, 2015
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This paper describes a new ensemble methodology for the statistical analysis of atmospheric gas- & particle-phase composition data sets. The methodology reduces the huge amount of data derived from many chamber experiments to show that organic reactivity & resultant particle formation can be mapped into unique clusters in statistical space. The model generated is used to map more realistic plant mesocosm oxidation data, the projection of which gives insight into reactive pathways & precursors.
J. D. Allan, P. I. Williams, J. Najera, J. D. Whitehead, M. J. Flynn, J. W. Taylor, D. Liu, E. Darbyshire, L. J. Carpenter, R. Chance, S. J. Andrews, S. C. Hackenberg, and G. McFiggans
Atmos. Chem. Phys., 15, 5599–5609, https://doi.org/10.5194/acp-15-5599-2015, https://doi.org/10.5194/acp-15-5599-2015, 2015
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New particle formation (NPF) is an important contributor to aerosol number concentrations in the Arctic and thus has a major role in dictating cloud properties and climate in this region. Here we present direct evidence that the oxidation of iodine in the atmosphere causes NPF in the Greenland Sea. This is important because this is a NPF mechanism that has not previously been considered in modelling studies at these latitudes.
M. D. Jolleys, H. Coe, G. McFiggans, J. W. Taylor, S. J. O'Shea, M. Le Breton, S. J.-B. Bauguitte, S. Moller, P. Di Carlo, E. Aruffo, P. I. Palmer, J. D. Lee, C. J. Percival, and M. W. Gallagher
Atmos. Chem. Phys., 15, 3077–3095, https://doi.org/10.5194/acp-15-3077-2015, https://doi.org/10.5194/acp-15-3077-2015, 2015
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Particulate emissions in the form of organic aerosol from boreal forest fires in Canada have been measured during an aircraft measurement campaign. Ratios of the amount of aerosol emitted relative to gas species such as CO were calculated and show high levels of variability throughout the campaign. This variability is affected by both changes in fire conditions, as fires tended to die down later in the measurement period, and by changes to the aerosol due to chemical reactions in the atmosphere.
S. Archer-Nicholls, D. Lowe, E. Darbyshire, W. T. Morgan, M. M. Bela, G. Pereira, J. Trembath, J. W. Kaiser, K. M. Longo, S. R. Freitas, H. Coe, and G. McFiggans
Geosci. Model Dev., 8, 549–577, https://doi.org/10.5194/gmd-8-549-2015, https://doi.org/10.5194/gmd-8-549-2015, 2015
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The regional WRF-Chem model was used to study aerosol particles from biomass burning in South America. The modelled estimates of fire plume injection heights were found to be too high, with serious implications for modelled aerosol vertical distribution, transport and impacts on local climate. A modified emission scenario was developed which improved the predicted injection height. Model results were compared and evaluated against in situ measurements from the 2012 SAMBBA flight campaign.
D. Lowe, S. Archer-Nicholls, W. Morgan, J. Allan, S. Utembe, B. Ouyang, E. Aruffo, M. Le Breton, R. A. Zaveri, P. Di Carlo, C. Percival, H. Coe, R. Jones, and G. McFiggans
Atmos. Chem. Phys., 15, 1385–1409, https://doi.org/10.5194/acp-15-1385-2015, https://doi.org/10.5194/acp-15-1385-2015, 2015
W. T. Morgan, B. Ouyang, J. D. Allan, E. Aruffo, P. Di Carlo, O. J. Kennedy, D. Lowe, M. J. Flynn, P. D. Rosenberg, P. I. Williams, R. Jones, G. B. McFiggans, and H. Coe
Atmos. Chem. Phys., 15, 973–990, https://doi.org/10.5194/acp-15-973-2015, https://doi.org/10.5194/acp-15-973-2015, 2015
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This paper used observations from a research aircraft flying around the UK to investigate how air pollution in north-western Europe can alter nighttime chemical reactions in the atmosphere. These chemical reactions can worsen air quality in the region, as well as influence regional climate change. Ammonium nitrate aerosol appears to play an important role. The paper indicates that representation of these chemical reactions is poorly represented in models used for air quality and climate.
K. P. Wyche, A. C. Ryan, C. N. Hewitt, M. R. Alfarra, G. McFiggans, T. Carr, P. S. Monks, K. L. Smallbone, G. Capes, J. F. Hamilton, T. A. M. Pugh, and A. R. MacKenzie
Atmos. Chem. Phys., 14, 12781–12801, https://doi.org/10.5194/acp-14-12781-2014, https://doi.org/10.5194/acp-14-12781-2014, 2014
J. D. Whitehead, M. Irwin, J. D. Allan, N. Good, and G. McFiggans
Atmos. Chem. Phys., 14, 11833–11841, https://doi.org/10.5194/acp-14-11833-2014, https://doi.org/10.5194/acp-14-11833-2014, 2014
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Water uptake of ambient particles was measured by 2 independent techniques at a wide range of locations between 2007 and 2013. The agreement between the techniques was mixed and hence the number of potential cloud seeds calculated from the measurements frequently showed discrepancies. Whilst there is sensitivity to how well we measure the size of the particles, much of the difference depends on how the particles behave when exposed to moisture in the different techniques (and in the atmosphere).
S. Archer-Nicholls, D. Lowe, S. Utembe, J. Allan, R. A. Zaveri, J. D. Fast, Ø. Hodnebrog, H. Denier van der Gon, and G. McFiggans
Geosci. Model Dev., 7, 2557–2579, https://doi.org/10.5194/gmd-7-2557-2014, https://doi.org/10.5194/gmd-7-2557-2014, 2014
M. J. Lawler, J. Whitehead, C. O'Dowd, C. Monahan, G. McFiggans, and J. N. Smith
Atmos. Chem. Phys., 14, 11557–11569, https://doi.org/10.5194/acp-14-11557-2014, https://doi.org/10.5194/acp-14-11557-2014, 2014
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This work describes the chemical and physical characterization of very small (< 100 nm diameter) particles in the marine atmosphere. We show that sea salt is present even at very small sizes and present evidence that organic species are important contributors to apparent new particle formation events over the ocean.
E. Simpson, P. Connolly, and G. McFiggans
Geosci. Model Dev., 7, 1535–1542, https://doi.org/10.5194/gmd-7-1535-2014, https://doi.org/10.5194/gmd-7-1535-2014, 2014
M. Crippa, F. Canonaco, V. A. Lanz, M. Äijälä, J. D. Allan, S. Carbone, G. Capes, D. Ceburnis, M. Dall'Osto, D. A. Day, P. F. DeCarlo, M. Ehn, A. Eriksson, E. Freney, L. Hildebrandt Ruiz, R. Hillamo, J. L. Jimenez, H. Junninen, A. Kiendler-Scharr, A.-M. Kortelainen, M. Kulmala, A. Laaksonen, A. A. Mensah, C. Mohr, E. Nemitz, C. O'Dowd, J. Ovadnevaite, S. N. Pandis, T. Petäjä, L. Poulain, S. Saarikoski, K. Sellegri, E. Swietlicki, P. Tiitta, D. R. Worsnop, U. Baltensperger, and A. S. H. Prévôt
Atmos. Chem. Phys., 14, 6159–6176, https://doi.org/10.5194/acp-14-6159-2014, https://doi.org/10.5194/acp-14-6159-2014, 2014
P. J. Connolly, D. O. Topping, F. Malavelle, and G. McFiggans
Atmos. Chem. Phys., 14, 2289–2302, https://doi.org/10.5194/acp-14-2289-2014, https://doi.org/10.5194/acp-14-2289-2014, 2014
M. R. Alfarra, N. Good, K. P. Wyche, J. F. Hamilton, P. S. Monks, A. C. Lewis, and G. McFiggans
Atmos. Chem. Phys., 13, 11769–11789, https://doi.org/10.5194/acp-13-11769-2013, https://doi.org/10.5194/acp-13-11769-2013, 2013
J. F. Hamilton, M. R. Alfarra, N. Robinson, M. W. Ward, A. C. Lewis, G. B. McFiggans, H. Coe, and J. D. Allan
Atmos. Chem. Phys., 13, 11295–11305, https://doi.org/10.5194/acp-13-11295-2013, https://doi.org/10.5194/acp-13-11295-2013, 2013
D. Liu, J. Allan, J. Whitehead, D. Young, M. Flynn, H. Coe, G. McFiggans, Z. L. Fleming, and B. Bandy
Atmos. Chem. Phys., 13, 2015–2029, https://doi.org/10.5194/acp-13-2015-2013, https://doi.org/10.5194/acp-13-2015-2013, 2013
Related subject area
Atmospheric sciences
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
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
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)
A simplified non-linear chemistry transport model for analyzing NO2 column observations: STILT–NOx
The Hydro-ABC model (Version 2.0): a simplified convective-scale model with moist dynamics
Rapid Adaptive Optimization Model for Atmospheric Chemistry (ROMAC) v1.0
A standardized methodology for the validation of air quality forecast applications (F-MQO): lessons learnt from its application across Europe
Application of the Multi-Scale Infrastructure for Chemistry and Aerosols version 0 (MUSICAv0) for air quality research in Africa
A Regional multi-Air Pollutant Assimilation System (RAPAS v1.0) for emission estimates: system development and application
Evaluation of vertically resolved longwave radiation in SPARTACUS-Urban 0.7.3 and the sensitivity to urban surface temperatures
Key factors for quantitative precipitation nowcasting using ground weather radar data based on deep learning
QES-Plume v1.0: a Lagrangian dispersion model
A two-way coupled regional urban–street network air quality model system for Beijing, China
Simulations of idealised 3D atmospheric flows on terrestrial planets using LFRic-Atmosphere
Emulating lateral gravity wave propagation in a global chemistry–climate model (EMAC v2.55.2) through horizontal flux redistribution
Evaluating WRF-GC v2.0 predictions of boundary layer height and vertical ozone profile during the 2021 TRACER-AQ campaign in Houston, Texas
An optimisation method to improve modelling of wet deposition in atmospheric transport models: applied to FLEXPART v10.4
Modelling concentration heterogeneities in streets using the street-network model MUNICH
Simulation model of Reactive Nitrogen Species in an Urban Atmosphere using a Deep Neural Network: RNDv1.0
J-GAIN v1.1: a flexible tool to incorporate aerosol formation rates obtained by molecular models into large-scale models
Metrics for evaluating the quality in linear atmospheric inverse problems: a case study of a trace gas inversion
Improved representation of volcanic sulfur dioxide depletion in Lagrangian transport simulations: a case study with MPTRAC v2.4
Use of threshold parameter variation for tropical cyclone tracking
Passive-tracer modelling at super-resolution with Weather Research and Forecasting – Advanced Research WRF (WRF-ARW) to assess mass-balance schemes
The High-resolution Intermediate Complexity Atmospheric Research (HICAR v1.1) model enables fast dynamic downscaling to the hectometer scale
A gridded air quality forecast through fusing site-available machine learning predictions from RFSML v1.0 and chemical transport model results from GEOS-Chem v13.1.0 using the ensemble Kalman filter
Implementation and evaluation of updated photolysis rates in the EMEP MSC-W chemical transport model using Cloud-J v7.3e
Plume detection and emission estimate for biomass burning plumes from TROPOMI carbon monoxide observations using APE v1.1
CHEEREIO 1.0: a versatile and user-friendly ensemble-based chemical data assimilation and emissions inversion platform for the GEOS-Chem chemical transport model
A method to derive Fourier–wavelet spectra for the characterization of global-scale waves in the mesosphere and lower thermosphere and its MATLAB and Python software (fourierwavelet v1.1)
Dynamic Meteorology-induced Emissions Coupler (MetEmis) development in the Community Multiscale Air Quality (CMAQ): CMAQ-MetEmis
Visual analysis of model parameter sensitivities along warm conveyor belt trajectories using Met.3D (1.6.0-multivar1)
A global grid model for the estimation of zenith tropospheric delay considering the variations at different altitudes
Simulating heat and CO2 fluxes in Beijing using SUEWS V2020b: sensitivity to vegetation phenology and maximum conductance
A Python library for computing individual and merged non-CO2 algorithmic climate change functions: CLIMaCCF V1.0
The three-dimensional structure of fronts in mid-latitude weather systems in numerical weather prediction models
The development and validation of the Inhomogeneous Wind Scheme for Urban Street (IWSUS-v1)
GPU-HADVPPM V1.0: a high-efficiency parallel GPU design of the piecewise parabolic method (PPM) for horizontal advection in an air quality model (CAMx V6.10)
Variability and combination as an ensemble of mineral dust forecasts during the 2021 CADDIWA experiment using the WRF 3.7.1 and CHIMERE v2020r3 models
Breakups are complicated: an efficient representation of collisional breakup in the superdroplet method
An optimized semi-empirical physical approach for satellite-based PM2.5 retrieval: embedding machine learning to simulate complex physical parameters
Sensitivity of tropospheric ozone to halogen chemistry in the chemistry–climate model LMDZ-INCA vNMHC
Segmentation of XCO2 images with deep learning: application to synthetic plumes from cities and power plants
Evaluating precipitation distributions at regional scales: a benchmarking framework and application to CMIP5 and 6 models
The Fire Inventory from NCAR version 2.5: an updated global fire emissions model for climate and chemistry applications
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
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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
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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.
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
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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.
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
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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
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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
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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
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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
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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.
Dien Wu, Joshua L. Laughner, Junjie Liu, Paul I. Palmer, John C. Lin, and Paul O. Wennberg
Geosci. Model Dev., 16, 6161–6185, https://doi.org/10.5194/gmd-16-6161-2023, https://doi.org/10.5194/gmd-16-6161-2023, 2023
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To balance computational expenses and chemical complexity in extracting emission signals from tropospheric NO2 columns, we propose a simplified non-linear Lagrangian chemistry transport model and assess its performance against TROPOMI v2 over power plants and cities. Using this model, we then discuss how NOx chemistry affects the relationship between NOx and CO2 emissions and how studying NO2 columns helps quantify modeled biases in wind directions and prior emissions.
Jiangshan Zhu and Ross Noel Bannister
Geosci. Model Dev., 16, 6067–6085, https://doi.org/10.5194/gmd-16-6067-2023, https://doi.org/10.5194/gmd-16-6067-2023, 2023
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We describe how condensation and evaporation are included in the existing (otherwise dry) simplified ABC model. The new model (Hydro-ABC) includes transport of vapour and condensate within a dynamical core, and it transitions between these two phases via a micro-physics scheme. The model shows the development of an anvil cloud and excitation of atmospheric waves over many frequencies. The covariances that develop between variables are also studied together with indicators of convective motion.
Jiangyong Li, Chunlin Zhang, Wenlong Zhao, Shijie Han, Yu Wang, Hao Wang, and Boguang Wang
Geosci. Model Dev., 16, 6049–6066, https://doi.org/10.5194/gmd-16-6049-2023, https://doi.org/10.5194/gmd-16-6049-2023, 2023
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Photochemical box models, crucial for understanding tropospheric chemistry, face challenges due to slow computational efficiency with large chemical equations. The model introduced in this study, ROMAC, boosts efficiency by up to 96 % using an advanced atmospheric solver and an adaptive optimization algorithm. Moreover, ROMAC exceeds traditional box models in evaluating the impact of physical processes on pollutant concentrations.
Lina Vitali, Kees Cuvelier, Antonio Piersanti, Alexandra Monteiro, Mario Adani, Roberta Amorati, Agnieszka Bartocha, Alessandro D'Ausilio, Paweł Durka, Carla Gama, Giulia Giovannini, Stijn Janssen, Tomasz Przybyła, Michele Stortini, Stijn Vranckx, and Philippe Thunis
Geosci. Model Dev., 16, 6029–6047, https://doi.org/10.5194/gmd-16-6029-2023, https://doi.org/10.5194/gmd-16-6029-2023, 2023
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Air quality forecasting models play a key role in fostering short-term measures aimed at reducing human exposure to air pollution. Together with this role comes the need for a thorough assessment of the model performances to build confidence in models’ capabilities, in particular when model applications support policymaking. In this paper, we propose an evaluation methodology and test it on several domains across Europe, highlighting its strengths and room for improvement.
Wenfu Tang, Louisa K. Emmons, Helen M. Worden, Rajesh Kumar, Cenlin He, Benjamin Gaubert, Zhonghua Zheng, Simone Tilmes, Rebecca R. Buchholz, Sara-Eva Martinez-Alonso, Claire Granier, Antonin Soulie, Kathryn McKain, Bruce C. Daube, Jeff Peischl, Chelsea Thompson, and Pieternel Levelt
Geosci. Model Dev., 16, 6001–6028, https://doi.org/10.5194/gmd-16-6001-2023, https://doi.org/10.5194/gmd-16-6001-2023, 2023
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The new MUSICAv0 model enables the study of atmospheric chemistry across all relevant scales. We develop a MUSICAv0 grid for Africa. We evaluate MUSICAv0 with observations and compare it with a previously used model – WRF-Chem. Overall, the performance of MUSICAv0 is comparable to WRF-Chem. Based on model–satellite discrepancies, we find that future field campaigns in an eastern African region (30°E–45°E, 5°S–5°N) could substantially improve the predictive skill of air quality models.
Shuzhuang Feng, Fei Jiang, Zheng Wu, Hengmao Wang, Wei He, Yang Shen, Lingyu Zhang, Yanhua Zheng, Chenxi Lou, Ziqiang Jiang, and Weimin Ju
Geosci. Model Dev., 16, 5949–5977, https://doi.org/10.5194/gmd-16-5949-2023, https://doi.org/10.5194/gmd-16-5949-2023, 2023
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We document the system development and application of a Regional multi-Air Pollutant Assimilation System (RAPAS v1.0). This system is developed to optimize gridded source emissions of CO, SO2, NOx, primary PM2.5, and coarse PM10 on a regional scale via simultaneously assimilating surface measurements of CO, SO2, NO2, PM2.5, and PM10. A series of sensitivity experiments demonstrates the advantage of the “two-step” inversion strategy and the robustness of the system in estimating the emissions.
Megan A. Stretton, William Morrison, Robin J. Hogan, and Sue Grimmond
Geosci. Model Dev., 16, 5931–5947, https://doi.org/10.5194/gmd-16-5931-2023, https://doi.org/10.5194/gmd-16-5931-2023, 2023
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Cities' materials and forms impact radiative fluxes. We evaluate the SPARTACUS-Urban multi-layer approach to modelling longwave radiation, describing realistic 3D geometry statistically using the explicit DART (Discrete Anisotropic Radiative Transfer) model. The temperature configurations used are derived from thermal camera observations. SPARTACUS-Urban accurately predicts longwave fluxes, with a low computational time (cf. DART), but has larger errors with sunlit/shaded surface temperatures.
Daehyeon Han, Jungho Im, Yeji Shin, and Juhyun Lee
Geosci. Model Dev., 16, 5895–5914, https://doi.org/10.5194/gmd-16-5895-2023, https://doi.org/10.5194/gmd-16-5895-2023, 2023
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To identify the key factors affecting quantitative precipitation nowcasting (QPN) using deep learning (DL), we carried out a comprehensive evaluation and analysis. We compared four key factors: DL model, length of the input sequence, loss function, and ensemble approach. Generally, U-Net outperformed ConvLSTM. Loss function and ensemble showed potential for improving performance when they synergized well. The length of the input sequence did not significantly affect the results.
Fabien Margairaz, Balwinder Singh, Jeremy A. Gibbs, Loren Atwood, Eric R. Pardyjak, and Rob Stoll
Geosci. Model Dev., 16, 5729–5754, https://doi.org/10.5194/gmd-16-5729-2023, https://doi.org/10.5194/gmd-16-5729-2023, 2023
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The Quick Environmental Simulation (QES) tool is a low-computational-cost fast-response framework. It provides high-resolution wind and concentration information to study complex problems, such as spore or smoke transport, urban pollution, and air quality. This paper presents the particle dispersion model and its validation against analytical solutions and wind-tunnel data for a mock-urban setting. In all cases, the model provides accurate results with competitive computational performance.
Tao Wang, Hang Liu, Jie Li, Shuai Wang, Youngseob Kim, Yele Sun, Wenyi Yang, Huiyun Du, Zhe Wang, and Zifa Wang
Geosci. Model Dev., 16, 5585–5599, https://doi.org/10.5194/gmd-16-5585-2023, https://doi.org/10.5194/gmd-16-5585-2023, 2023
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This paper developed a two-way coupled module in a new version of a regional urban–street network model, IAQMS-street v2.0, in which the mass flux from streets to background is considered. Test cases are defined to evaluate the performance of IAQMS-street v2.0 in Beijing by comparing it with that simulated by IAQMS-street v1.0 and a regional model. The contribution of local emissions and the influence of on-road vehicle control measures on air quality are evaluated by using IAQMS-street v2.0.
Denis E. Sergeev, Nathan J. Mayne, Thomas Bendall, Ian A. Boutle, Alex Brown, Iva Kavčič, James Kent, Krisztian Kohary, James Manners, Thomas Melvin, Enrico Olivier, Lokesh K. Ragta, Ben Shipway, Jon Wakelin, Nigel Wood, and Mohamed Zerroukat
Geosci. Model Dev., 16, 5601–5626, https://doi.org/10.5194/gmd-16-5601-2023, https://doi.org/10.5194/gmd-16-5601-2023, 2023
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Three-dimensional climate models are one of the best tools we have to study planetary atmospheres. Here, we apply LFRic-Atmosphere, a new model developed by the Met Office, to seven different scenarios for terrestrial planetary climates, including four for the exoplanet TRAPPIST-1e, a primary target for future observations. LFRic-Atmosphere reproduces these scenarios within the spread of the existing models across a range of key climatic variables, justifying its use in future exoplanet studies.
Roland Eichinger, Sebastian Rhode, Hella Garny, Peter Preusse, Petr Pisoft, Aleš Kuchař, Patrick Jöckel, Astrid Kerkweg, and Bastian Kern
Geosci. Model Dev., 16, 5561–5583, https://doi.org/10.5194/gmd-16-5561-2023, https://doi.org/10.5194/gmd-16-5561-2023, 2023
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The columnar approach of gravity wave (GW) schemes results in dynamical model biases, but parallel decomposition makes horizontal GW propagation computationally unfeasible. In the global model EMAC, we approximate it by GW redistribution at one altitude using tailor-made redistribution maps generated with a ray tracer. More spread-out GW drag helps reconcile the model with observations and close the 60°S GW gap. Polar vortex dynamics are improved, enhancing climate model credibility.
Xueying Liu, Yuxuan Wang, Shailaja Wasti, Wei Li, Ehsan Soleimanian, James Flynn, Travis Griggs, Sergio Alvarez, John T. Sullivan, Maurice Roots, Laurence Twigg, Guillaume Gronoff, Timothy Berkoff, Paul Walter, Mark Estes, Johnathan W. Hair, Taylor Shingler, Amy Jo Scarino, Marta Fenn, and Laura Judd
Geosci. Model Dev., 16, 5493–5514, https://doi.org/10.5194/gmd-16-5493-2023, https://doi.org/10.5194/gmd-16-5493-2023, 2023
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With a comprehensive suite of ground-based and airborne remote sensing measurements during the 2021 TRacking Aerosol Convection ExpeRiment – Air Quality (TRACER-AQ) campaign in Houston, this study evaluates the simulation of the planetary boundary layer (PBL) height and the ozone vertical profile by a high-resolution (1.33 km) 3-D photochemical model Weather Research and Forecasting-driven GEOS-Chem (WRF-GC).
Stijn Van Leuven, Pieter De Meutter, Johan Camps, Piet Termonia, and Andy Delcloo
Geosci. Model Dev., 16, 5323–5338, https://doi.org/10.5194/gmd-16-5323-2023, https://doi.org/10.5194/gmd-16-5323-2023, 2023
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Precipitation collects airborne particles and deposits these on the ground. This process is called wet deposition and greatly determines how airborne radioactive particles (released routinely or accidentally) contaminate the surface. In this work we present a new method to improve the calculation of wet deposition in computer models. We apply this method to the existing model FLEXPART by simulating the Fukushima nuclear accident (2011) and show that it improves the simulation of wet deposition.
Thibaud Sarica, Alice Maison, Yelva Roustan, Matthias Ketzel, Steen Solvang Jensen, Youngseob Kim, Christophe Chaillou, and Karine Sartelet
Geosci. Model Dev., 16, 5281–5303, https://doi.org/10.5194/gmd-16-5281-2023, https://doi.org/10.5194/gmd-16-5281-2023, 2023
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A new version of the Model of Urban Network of Intersecting Canyons and Highways (MUNICH) is developed to represent heterogeneities of concentrations in streets. The street volume is discretized vertically and horizontally to limit the artificial dilution of emissions and concentrations. This new version is applied to street networks in Copenhagen and Paris. The comparisons to observations are improved, with higher concentrations of pollutants emitted by traffic at the bottom of the street.
Junsu Gil, Meehye Lee, Jeonghwan Kim, Gangwoong Lee, Joonyoung Ahn, and Cheol-Hee Kim
Geosci. Model Dev., 16, 5251–5263, https://doi.org/10.5194/gmd-16-5251-2023, https://doi.org/10.5194/gmd-16-5251-2023, 2023
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In this study, the framework for calculating reactive nitrogen species using a deep neural network (RND) was developed. It works through simple Python codes and provides high-accuracy reactive nitrogen oxide data. In the first version (RNDv1.0), the model calculates the nitrous acid (HONO) in urban areas, which has an important role in producing O3 and fine aerosol.
Daniel Yazgi and Tinja Olenius
Geosci. Model Dev., 16, 5237–5249, https://doi.org/10.5194/gmd-16-5237-2023, https://doi.org/10.5194/gmd-16-5237-2023, 2023
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We present flexible tools to implement aerosol formation rate predictions in climate and chemical transport models. New-particle formation is a significant but uncertain factor affecting aerosol numbers and an active field within molecular modeling which provides data for assessing formation rates for different chemical species. We introduce tools to generate and interpolate formation rate lookup tables for user-defined data, thus enabling the easy inclusion and testing of formation schemes.
Vineet Yadav, Subhomoy Ghosh, and Charles E. Miller
Geosci. Model Dev., 16, 5219–5236, https://doi.org/10.5194/gmd-16-5219-2023, https://doi.org/10.5194/gmd-16-5219-2023, 2023
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Measuring the performance of inversions in linear Bayesian problems is crucial in real-life applications. In this work, we provide analytical forms of the local and global sensitivities of the estimated fluxes with respect to various inputs. We provide methods to uniquely map the observational signal to spatiotemporal domains. Utilizing this, we also show techniques to assess correlations between the Jacobians that naturally translate to nonstationary covariance matrix components.
Mingzhao Liu, Lars Hoffmann, Sabine Griessbach, Zhongyin Cai, Yi Heng, and Xue Wu
Geosci. Model Dev., 16, 5197–5217, https://doi.org/10.5194/gmd-16-5197-2023, https://doi.org/10.5194/gmd-16-5197-2023, 2023
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We introduce new and revised chemistry and physics modules in the Massive-Parallel Trajectory Calculations (MPTRAC) Lagrangian transport model aiming to improve the representation of volcanic SO2 transport and depletion. We test these modules in a case study of the Ambae eruption in July 2018 in which the SO2 plume underwent wet removal and convection. The lifetime of SO2 shows highly variable and complex dependencies on the atmospheric conditions at different release heights.
Bernhard M. Enz, Jan P. Engelmann, and Ulrike Lohmann
Geosci. Model Dev., 16, 5093–5112, https://doi.org/10.5194/gmd-16-5093-2023, https://doi.org/10.5194/gmd-16-5093-2023, 2023
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An algorithm to track tropical cyclones in model simulation data has been developed. The algorithm uses many combinations of varying parameter thresholds to detect weaker phases of tropical cyclones while still being resilient to false positives. It is shown that the algorithm performs well and adequately represents the tropical cyclone activity of the underlying simulation data. The impact of false positives on overall tropical cyclone activity is shown to be insignificant.
Sepehr Fathi, Mark Gordon, and Yongsheng Chen
Geosci. Model Dev., 16, 5069–5091, https://doi.org/10.5194/gmd-16-5069-2023, https://doi.org/10.5194/gmd-16-5069-2023, 2023
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We have combined various capabilities within a WRF model to generate simulations of atmospheric pollutant dispersion at 50 m resolution. The study objective was to resolve transport processes at the scale of measurements to assess and optimize aircraft-based emission rate retrievals. Model performance evaluation resulted in agreement within 5 % of observed meteorological and within 1–2 standard deviations of observed wind fields. Mass was conserved in the model within 5 % of input emissions.
Dylan Reynolds, Ethan Gutmann, Bert Kruyt, Michael Haugeneder, Tobias Jonas, Franziska Gerber, Michael Lehning, and Rebecca Mott
Geosci. Model Dev., 16, 5049–5068, https://doi.org/10.5194/gmd-16-5049-2023, https://doi.org/10.5194/gmd-16-5049-2023, 2023
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The challenge of running geophysical models is often compounded by the question of where to obtain appropriate data to give as input to a model. Here we present the HICAR model, a simplified atmospheric model capable of running at spatial resolutions of hectometers for long time series or over large domains. This makes physically consistent atmospheric data available at the spatial and temporal scales needed for some terrestrial modeling applications, for example seasonal snow forecasting.
Li Fang, Jianbing Jin, Arjo Segers, Hong Liao, Ke Li, Bufan Xu, Wei Han, Mijie Pang, and Hai Xiang Lin
Geosci. Model Dev., 16, 4867–4882, https://doi.org/10.5194/gmd-16-4867-2023, https://doi.org/10.5194/gmd-16-4867-2023, 2023
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Machine learning models have gained great popularity in air quality prediction. However, they are only available at air quality monitoring stations. In contrast, chemical transport models (CTM) provide predictions that are continuous in the 3D field. Owing to complex error sources, they are typically biased. In this study, we proposed a gridded prediction with high accuracy by fusing predictions from our regional feature selection machine learning prediction (RFSML v1.0) and a CTM prediction.
Willem Elias van Caspel, David Simpson, Jan Eiof Jonson, Anna Maria Katarina Benedictow, Yao Ge, Alcide di Sarra, Giandomenico Pace, Massimo Vieno, Hannah Walker, and Mathew Heal
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2023-147, https://doi.org/10.5194/gmd-2023-147, 2023
Revised manuscript accepted for GMD
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Radiation coming from the sun is essential to atmospheric chemistry, driving the break-up, or photo-dissociation, of atmospheric molecules. This in turn affects the chemical composition and reactivity of the atmosphere. The representation of these photo-dissociation effects is therefore essential in atmospheric chemistry modeling. One such models is the EMEP MSC-W model, for which in this paper a new way of calculating the photo-dissociation rates is tested and evaluated.
Manu Goudar, Juliëtte C. S. Anema, Rajesh Kumar, Tobias Borsdorff, and Jochen Landgraf
Geosci. Model Dev., 16, 4835–4852, https://doi.org/10.5194/gmd-16-4835-2023, https://doi.org/10.5194/gmd-16-4835-2023, 2023
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A framework was developed to automatically detect plumes and compute emission estimates with cross-sectional flux method (CFM) for biomass burning events in TROPOMI CO datasets using Visible Infrared Imaging Radiometer Suite active fire data. The emissions were more reliable when changing plume height in downwind direction was used instead of constant injection height. The CFM had uncertainty even when the meteorological conditions were accurate; thus there is a need for better inversion models.
Drew C. Pendergrass, Daniel J. Jacob, Hannah Nesser, Daniel J. Varon, Melissa Sulprizio, Kazuyuki Miyazaki, and Kevin W. Bowman
Geosci. Model Dev., 16, 4793–4810, https://doi.org/10.5194/gmd-16-4793-2023, https://doi.org/10.5194/gmd-16-4793-2023, 2023
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We have built a tool called CHEEREIO that allows scientists to use observations of pollutants or gases in the atmosphere, such as from satellites or surface stations, to update supercomputer models that simulate the Earth. CHEEREIO uses the difference between the model simulations of the atmosphere and real-world observations to come up with a good guess for the actual composition of our atmosphere, the true emissions of various pollutants, and whatever else they may want to study.
Yosuke Yamazaki
Geosci. Model Dev., 16, 4749–4766, https://doi.org/10.5194/gmd-16-4749-2023, https://doi.org/10.5194/gmd-16-4749-2023, 2023
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The Earth's atmosphere can support various types of global-scale waves. Some waves propagate eastward and others westward, and they can have different zonal wavenumbers. The Fourier–wavelet analysis is a useful technique for identifying different components of global-scale waves and their temporal variability. This paper introduces an easy-to-implement method to derive Fourier–wavelet spectra from 2-D space–time data. Application examples are presented using atmospheric models.
Bok H. Baek, Carlie Coats, Siqi Ma, Chi-Tsan Wang, Yunyao Li, Jia Xing, Daniel Tong, Soontae Kim, and Jung-Hun Woo
Geosci. Model Dev., 16, 4659–4676, https://doi.org/10.5194/gmd-16-4659-2023, https://doi.org/10.5194/gmd-16-4659-2023, 2023
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To enable the direct feedback effects of aerosols and local meteorology in an air quality modeling system without any computational bottleneck, we have developed an inline meteorology-induced emissions coupler module within the U.S. Environmental Protection Agency’s Community Multiscale Air Quality modeling system to dynamically model the complex MOtor Vehicle Emission Simulator (MOVES) on-road mobile emissions inline without a separate dedicated emissions processing model like SMOKE.
Christoph Neuhauser, Maicon Hieronymus, Michael Kern, Marc Rautenhaus, Annika Oertel, and Rüdiger Westermann
Geosci. Model Dev., 16, 4617–4638, https://doi.org/10.5194/gmd-16-4617-2023, https://doi.org/10.5194/gmd-16-4617-2023, 2023
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Numerical weather prediction models rely on parameterizations for sub-grid-scale processes, which are a source of uncertainty. We present novel visual analytics solutions to analyze interactively the sensitivities of a selected prognostic variable to multiple model parameters along trajectories regarding similarities in temporal development and spatiotemporal relationships. The proposed workflow is applied to cloud microphysical sensitivities along coherent strongly ascending trajectories.
Liangke Huang, Shengwei Lan, Ge Zhu, Fade Chen, Junyu Li, and Lilong Liu
Geosci. Model Dev. Discuss., https://doi.org/10.5194/gmd-2023-139, https://doi.org/10.5194/gmd-2023-139, 2023
Revised manuscript accepted for GMD
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The existing ZTD models have limitations such as using a single fitting function, neglecting daily cycle variations, and relying on only one resolution grid data 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.
Yingqi Zheng, Minttu Havu, Huizhi Liu, Xueling Cheng, Yifan Wen, Hei Shing Lee, Joyson Ahongshangbam, and Leena Järvi
Geosci. Model Dev., 16, 4551–4579, https://doi.org/10.5194/gmd-16-4551-2023, https://doi.org/10.5194/gmd-16-4551-2023, 2023
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The performance of the Surface Urban Energy and Water Balance Scheme (SUEWS) is evaluated against the observed surface exchanges (fluxes) of heat and carbon dioxide in a densely built neighborhood in Beijing. The heat flux modeling is noticeably improved by using the observed maximum conductance and by optimizing the vegetation phenology modeling. SUEWS also performs well in simulating carbon dioxide flux.
Simone Dietmüller, Sigrun Matthes, Katrin Dahlmann, Hiroshi Yamashita, Abolfazl Simorgh, Manuel Soler, Florian Linke, Benjamin Lührs, Maximilian M. Meuser, Christian Weder, Volker Grewe, Feijia Yin, and Federica Castino
Geosci. Model Dev., 16, 4405–4425, https://doi.org/10.5194/gmd-16-4405-2023, https://doi.org/10.5194/gmd-16-4405-2023, 2023
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Climate-optimized aircraft trajectories avoid atmospheric regions with a large climate impact due to aviation emissions. This requires spatially and temporally resolved information on aviation's climate impact. We propose using algorithmic climate change functions (aCCFs) for CO2 and non-CO2 effects (ozone, methane, water vapor, contrail cirrus). Merged aCCFs combine individual aCCFs by assuming aircraft-specific parameters and climate metrics. Technically this is done with a Python library.
Andreas A. Beckert, Lea Eisenstein, Annika Oertel, Tim Hewson, George C. Craig, and Marc Rautenhaus
Geosci. Model Dev., 16, 4427–4450, https://doi.org/10.5194/gmd-16-4427-2023, https://doi.org/10.5194/gmd-16-4427-2023, 2023
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We investigate the benefit of objective 3-D front detection with modern interactive visual analysis techniques for case studies of extra-tropical cyclones and comparisons of frontal structures between different numerical weather prediction models. The 3-D frontal structures show agreement with 2-D fronts from surface analysis charts and augment them in the vertical dimension. We see great potential for more complex studies of atmospheric dynamics and for operational weather forecasting.
Zhenxin Liu, Yuanhao Chen, Yuhang Wang, Cheng Liu, Shuhua Liu, and Hong Liao
Geosci. Model Dev., 16, 4385–4403, https://doi.org/10.5194/gmd-16-4385-2023, https://doi.org/10.5194/gmd-16-4385-2023, 2023
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The heterogeneous layout of urban buildings leads to the complex wind field in and over the urban canopy. Large discrepancies between the observations and the current simulations result from misunderstanding the character of the wind field. The Inhomogeneous Wind Scheme in Urban Street (IWSUS) was developed to simulate the heterogeneity of the wind speed in a typical street and then improve the simulated energy budget in the lower atmospheric layer over the urban canopy.
Kai Cao, Qizhong Wu, Lingling Wang, Nan Wang, Huaqiong Cheng, Xiao Tang, Dongqing Li, and Lanning Wang
Geosci. Model Dev., 16, 4367–4383, https://doi.org/10.5194/gmd-16-4367-2023, https://doi.org/10.5194/gmd-16-4367-2023, 2023
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Offline performance experiment results show that the GPU-HADVPPM on a V100 GPU can achieve up to 1113.6 × speedups to its original version on an E5-2682 v4 CPU. A series of optimization measures are taken, and the CAMx-CUDA model improves the computing efficiency by 128.4 × on a single V100 GPU card. A parallel architecture with an MPI plus CUDA hybrid paradigm is presented, and it can achieve up to 4.5 × speedup when launching eight CPU cores and eight GPU cards.
Laurent Menut
Geosci. Model Dev., 16, 4265–4281, https://doi.org/10.5194/gmd-16-4265-2023, https://doi.org/10.5194/gmd-16-4265-2023, 2023
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This study analyzes forecasts that were made in 2021 to help trigger measurements during the CADDIWA experiment. The WRF and CHIMERE models were run each day, and the first goal is to quantify the variability of the forecast as a function of forecast leads and forecast location. The possibility of using the different leads as an ensemble is also tested. For some locations, the correlation scores are better with this approach. This could be tested on operational forecast chains in the future.
Emily de Jong, John Ben Mackay, Oleksii Bulenok, Anna Jaruga, and Sylwester Arabas
Geosci. Model Dev., 16, 4193–4211, https://doi.org/10.5194/gmd-16-4193-2023, https://doi.org/10.5194/gmd-16-4193-2023, 2023
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In clouds, collisional breakup occurs when two colliding droplets splinter into new, smaller fragments. Particle-based modeling approaches often do not represent breakup because of the computational demands of creating new droplets. We present a particle-based breakup method that preserves the computational efficiency of these methods. In a series of simple demonstrations, we show that this representation alters cloud processes in reasonable and expected ways.
Caiyi Jin, Qiangqiang Yuan, Tongwen Li, Yuan Wang, and Liangpei Zhang
Geosci. Model Dev., 16, 4137–4154, https://doi.org/10.5194/gmd-16-4137-2023, https://doi.org/10.5194/gmd-16-4137-2023, 2023
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The semi-empirical physical approach derives PM2.5 with strong physical significance. However, due to the complex optical characteristic, the physical parameters are difficult to express accurately. Thus, combining the atmospheric physical mechanism and machine learning, we propose an optimized model. It creatively embeds the random forest model into the physical PM2.5 remote sensing approach to simulate a physical parameter. Our method shows great optimized performance in the validations.
Cyril Caram, Sophie Szopa, Anne Cozic, Slimane Bekki, Carlos A. Cuevas, and Alfonso Saiz-Lopez
Geosci. Model Dev., 16, 4041–4062, https://doi.org/10.5194/gmd-16-4041-2023, https://doi.org/10.5194/gmd-16-4041-2023, 2023
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We studied the role of halogenated compounds (containing chlorine, bromine and iodine), emitted by natural processes (mainly above the oceans), in the chemistry of the lower layers of the atmosphere. We introduced this relatively new chemistry in a three-dimensional climate–chemistry model and looked at how this chemistry will disrupt the ozone. We showed that the concentration of ozone decreases by 22 % worldwide and that of the atmospheric detergent, OH, by 8 %.
Joffrey Dumont Le Brazidec, Pierre Vanderbecken, Alban Farchi, Marc Bocquet, Jinghui Lian, Grégoire Broquet, Gerrit Kuhlmann, Alexandre Danjou, and Thomas Lauvaux
Geosci. Model Dev., 16, 3997–4016, https://doi.org/10.5194/gmd-16-3997-2023, https://doi.org/10.5194/gmd-16-3997-2023, 2023
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Monitoring of CO2 emissions is key to the development of reduction policies. Local emissions, from cities or power plants, may be estimated from CO2 plumes detected in satellite images. CO2 plumes generally have a weak signal and are partially concealed by highly variable background concentrations and instrument errors, which hampers their detection. To address this problem, we propose and apply deep learning methods to detect the contour of a plume in simulated CO2 satellite images.
Min-Seop Ahn, Paul A. Ullrich, Peter J. Gleckler, Jiwoo Lee, Ana C. Ordonez, and Angeline G. Pendergrass
Geosci. Model Dev., 16, 3927–3951, https://doi.org/10.5194/gmd-16-3927-2023, https://doi.org/10.5194/gmd-16-3927-2023, 2023
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We introduce a framework for regional-scale evaluation of simulated precipitation distributions with 62 climate reference regions and 10 metrics and apply it to evaluate CMIP5 and CMIP6 models against multiple satellite-based precipitation products. The common model biases identified in this study are mainly associated with the overestimated light precipitation and underestimated heavy precipitation. These biases persist from earlier-generation models and have been slightly improved in CMIP6.
Christine Wiedinmyer, Yosuke Kimura, Elena C. McDonald-Buller, Louisa K. Emmons, Rebecca R. Buchholz, Wenfu Tang, Keenan Seto, Maxwell B. Joseph, Kelley C. Barsanti, Annmarie G. Carlton, and Robert Yokelson
Geosci. Model Dev., 16, 3873–3891, https://doi.org/10.5194/gmd-16-3873-2023, https://doi.org/10.5194/gmd-16-3873-2023, 2023
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The Fire INventory from NCAR (FINN) provides daily global estimates of emissions from open fires based on satellite detections of hot spots. This version has been updated to apply MODIS and VIIRS satellite fire detection and better represents both large and small fires. FINNv2.5 generates more emissions than FINNv1 and is in general agreement with other fire emissions inventories. The new estimates are consistent with satellite observations, but uncertainties remain regionally and by pollutant.
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Short summary
User-friendly and open-source software for simulating aerosol chambers is a valuable tool for research scientists in designing and analysing their experiments. This paper describes a new version of such software and will therefore provide a useful reference for those applying it. Central to the paper is an assessment of the software's accuracy through comparison against previously published simulations.
User-friendly and open-source software for simulating aerosol chambers is a valuable tool for...
