Atmospheric Cluster Dynamics Code: a flexible method for solution of the birth-death equations
Matthew J. McGrath,Matthew J. McGrath,Tinja Olenius,Ismael K. Ortega,Ville Loukonen,Pauli Paasonen,Theo Kurtén,Markku Kulmala,Hanna Vehkamäki +8 more
TLDR
The Atmospheric Cluster Dynamics Code (ACDC) as mentioned in this paper was created to study the first steps of atmospheric new particle formation by examining the formation of molecular clusters from atmospherically relevant molecules.Abstract:
. The Atmospheric Cluster Dynamics Code (ACDC) is presented and explored. This program was created to study the first steps of atmospheric new particle formation by examining the formation of molecular clusters from atmospherically relevant molecules. The program models the cluster kinetics by explicit solution of the birth–death equations, using an efficient computer script for their generation and the MATLAB ode15s routine for their solution. Through the use of evaporation rate coefficients derived from formation free energies calculated by quantum chemical methods for clusters containing dimethylamine or ammonia and sulphuric acid, we have explored the effect of changing various parameters at atmospherically relevant monomer concentrations. We have included in our model clusters with 0–4 base molecules and 0–4 sulfuric acid molecules for which we have commensurable quantum chemical data. The tests demonstrate that large effects can be seen for even small changes in different parameters, due to the non-linearity of the system. In particular, changing the temperature had a significant impact on the steady-state concentrations of all clusters, while the boundary effects (allowing clusters to grow to sizes beyond the largest cluster that the code keeps track of, or forbidding such processes), coagulation sink terms, non-monomer collisions, sticking probabilities and monomer concentrations did not show as large effects under the conditions studied. Removal of coagulation sink terms prevented the system from reaching the steady state when all the initial cluster concentrations were set to the default value of 1 m−3, which is probably an effect caused by studying only relatively small cluster sizes.read more
Citations
More filters
Journal ArticleDOI
Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere
Joao Almeida,Joao Almeida,Siegfried Schobesberger,Andreas Kürten,Ismael K. Ortega,Oona Kupiainen-Määttä,Arnaud P. Praplan,Alexey Adamov,António Amorim,F. Bianchi,Martin Breitenlechner,A. David,Josef Dommen,Neil M. Donahue,Andrew J. Downard,Eimear M. Dunne,Jonathan Duplissy,Sebastian Ehrhart,Richard C. Flagan,Alessandro Franchin,Roberto Guida,Jani Hakala,Armin Hansel,Martin Heinritzi,Henning Henschel,Tuija Jokinen,Heikki Junninen,Maija Kajos,Juha Kangasluoma,Helmi Keskinen,Agnieszka Kupc,Theo Kurtén,Alexander N. Kvashin,Ari Laaksonen,Ari Laaksonen,Katrianne Lehtipalo,Markus Leiminger,Johannes Leppä,Ville Loukonen,Vladimir Makhmutov,Serge Mathot,Matthew J. McGrath,Tuomo Nieminen,Tuomo Nieminen,Tinja Olenius,Antti Onnela,Tuukka Petäjä,Francesco Riccobono,Ilona Riipinen,Matti P. Rissanen,Linda Rondo,Taina Ruuskanen,Filipe Duarte Santos,Nina Sarnela,Simon Schallhart,R. Schnitzhofer,John H. Seinfeld,Mario Simon,Mikko Sipilä,Mikko Sipilä,Yuri Stozhkov,Frank Stratmann,António Tomé,Jasmin Tröstl,Georgios Tsagkogeorgas,Petri Vaattovaara,Yrjö Viisanen,Annele Virtanen,Aron Vrtala,Paul E. Wagner,Ernest Weingartner,Heike Wex,Christina Williamson,Daniela Wimmer,Daniela Wimmer,Penglin Ye,Taina Yli-Juuti,Kenneth S. Carslaw,Markku Kulmala,Markku Kulmala,Joachim Curtius,Urs Baltensperger,Douglas R. Worsnop,Hanna Vehkamäki,Jasper Kirkby,Jasper Kirkby +85 more
TL;DR: The results show that, in regions of the atmosphere near amine sources, both amines and sulphur dioxide should be considered when assessing the impact of anthropogenic activities on particle formation.
Journal ArticleDOI
Atmospheric new particle formation from sulfuric acid and amines in a Chinese megacity
Lei Yao,Olga Garmash,F. Bianchi,F. Bianchi,Jun Zheng,Chao Yan,Jenni Kontkanen,Jenni Kontkanen,Heikki Junninen,Stephany Buenrostro Mazon,Mikael Ehn,Pauli Paasonen,Mikko Sipilä,Mingyi Wang,Xinke Wang,Shan Xiao,Hangfei Chen,Yiqun Lu,Bowen Zhang,Dongfang Wang,Qingyan Fu,Fuhai Geng,Li Li,Hongli Wang,Liping Qiao,Xin Yang,Xin Yang,Jianmin Chen,Jianmin Chen,Veli-Matti Kerminen,Tuukka Petäjä,Douglas R. Worsnop,Markku Kulmala,Markku Kulmala,Lin Wang +34 more
TL;DR: Investigation of new particle formation in Shanghai found that the observed concentration of sulfuric acid was high enough to explain the particle growth to ~3 nanometers under the very high condensation sink, whereas the subsequent higher growth rate beyond this size is believed to result from the added contribution of condensing organic species.
Journal ArticleDOI
Global atmospheric particle formation from CERN CLOUD measurements
Eimear M. Dunne,Hamish Gordon,Andreas Kürten,Joao Almeida,Joao Almeida,Jonathan Duplissy,Christina Williamson,Ismael K. Ortega,Kirsty J. Pringle,Alexey Adamov,Urs Baltensperger,Peter Barmet,Francois Benduhn,F. Bianchi,F. Bianchi,Martin Breitenlechner,Antony D. Clarke,Joachim Curtius,Josef Dommen,Neil M. Donahue,Neil M. Donahue,Sebastian Ehrhart,Sebastian Ehrhart,Richard C. Flagan,Alessandro Franchin,Roberto Guida,Jani Hakala,Armin Hansel,Martin Heinritzi,Tuija Jokinen,Juha Kangasluoma,Jasper Kirkby,Jasper Kirkby,Markku Kulmala,Agnieszka Kupc,Michael J. Lawler,Katrianne Lehtipalo,Katrianne Lehtipalo,Vladimir Makhmutov,Graham Mann,Serge Mathot,Joonas Merikanto,Pasi Miettinen,Athanasios Nenes,Athanasios Nenes,Antti Onnela,Alexandru Rap,Carly Reddington,Francesco Riccobono,N. A. D. Richards,Matti P. Rissanen,Linda Rondo,Nina Sarnela,Siegfried Schobesberger,Kamalika Sengupta,Mario Simon,Mikko Sipilä,James N. Smith,Yuri Stozkhov,António Tomé,Jasmin Tröstl,Paul E. Wagner,Daniela Wimmer,Daniela Wimmer,Paul M. Winkler,Douglas R. Worsnop,Kenneth S. Carslaw +66 more
TL;DR: In this article, the authors build a global model of aerosol formation using extensive laboratory-measured nucleation rates involving sulfuric acid, ammonia, ions and organic compounds, and a comparison with atmospheric observations show that nearly all nucleation throughout the present-day atmosphere involves ammonia or biogenic organic compounds.
Journal ArticleDOI
From quantum chemical formation free energies to evaporation rates
Ismael K. Ortega,Oona Kupiainen,Theo Kurtén,Tinja Olenius,Olli Wilkman,Matthew J. McGrath,Ville Loukonen,Hanna Vehkamäki +7 more
TL;DR: In this paper, the authors used formation free energies calculated by quantum chemical methods to estimate the evaporation rates of species from sulfuric acid clusters containing ammonia or dimethylamine.
Journal ArticleDOI
Chemistry of atmospheric nucleation: on the recent advances on precursor characterization and atmospheric cluster composition in connection with atmospheric new particle formation.
Markku Kulmala,Tuukka Petäjä,Mikael Ehn,Joel A. Thornton,Mikko Sipilä,D. R. Worsnop,V.-M. Kerminen +6 more
TL;DR: A summary of the chemistry of atmospheric clustering, growing nanoparticles, and their precursors is presented, particularly on atmospheric gas-to-particle conversion and recent progress in its understanding.
References
More filters
Journal ArticleDOI
The MATLAB ODE Suite
TL;DR: This paper describes mathematical and software developments for a suite of programs for solving ordinary differential equations in MATLAB.
Journal ArticleDOI
Formation and growth rates of ultrafine atmospheric particles: a review of observations
Markku Kulmala,Hanna Vehkamäki,Tuukka Petäjä,M. Dal Maso,Antti Lauri,V.-M. Kerminen,Wolfram Birmili,Peter H. McMurry +7 more
TL;DR: In this paper, the formation rate of 3-nm particles is often in the range 0.01-10 cm −3 s −1 in the boundary layer in urban areas and in coastal areas and industrial plumes.
Journal ArticleDOI
Atmospheric aerosols: composition, transformation, climate and health effects.
TL;DR: The current state of knowledge, major open questions, and research perspectives on the properties and interactions of atmospheric aerosols and their effects on climate and human health are outlined.
Journal Article
Formation and growth of fresh atmospheric aerosols: eight years of aerosol size distribution data from SMEAR II, Hyytiälä, Finland
Miikka Dal Maso,Markku Kulmala,Ilona Riipinen,Robert Wagner,Tareq Hussein,Pasi Aalto,Kari E. J. Lehtinen +6 more
TL;DR: In this paper, the authors analyzed size distributions measured continuously at a boreal forest measurement site at Hyytiala, Finland between 1996 and 2003 and identified days when new aerosol particle formation was taking place as well as days when no formation was detected, removing days with ambiguous status.
Journal ArticleDOI
Atmospheric amines - Part I. A review
TL;DR: Amines are emitted by a wide range of sources and are ubiquitous atmospheric organic bases and approximately 150 amines and about 30 amino acids have been identified in the atmosphere as discussed by the authors.
Related Papers (5)
Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere
Joao Almeida,Joao Almeida,Siegfried Schobesberger,Andreas Kürten,Ismael K. Ortega,Oona Kupiainen-Määttä,Arnaud P. Praplan,Alexey Adamov,António Amorim,F. Bianchi,Martin Breitenlechner,A. David,Josef Dommen,Neil M. Donahue,Andrew J. Downard,Eimear M. Dunne,Jonathan Duplissy,Sebastian Ehrhart,Richard C. Flagan,Alessandro Franchin,Roberto Guida,Jani Hakala,Armin Hansel,Martin Heinritzi,Henning Henschel,Tuija Jokinen,Heikki Junninen,Maija Kajos,Juha Kangasluoma,Helmi Keskinen,Agnieszka Kupc,Theo Kurtén,Alexander N. Kvashin,Ari Laaksonen,Ari Laaksonen,Katrianne Lehtipalo,Markus Leiminger,Johannes Leppä,Ville Loukonen,Vladimir Makhmutov,Serge Mathot,Matthew J. McGrath,Tuomo Nieminen,Tuomo Nieminen,Tinja Olenius,Antti Onnela,Tuukka Petäjä,Francesco Riccobono,Ilona Riipinen,Matti P. Rissanen,Linda Rondo,Taina Ruuskanen,Filipe Duarte Santos,Nina Sarnela,Simon Schallhart,R. Schnitzhofer,John H. Seinfeld,Mario Simon,Mikko Sipilä,Mikko Sipilä,Yuri Stozhkov,Frank Stratmann,António Tomé,Jasmin Tröstl,Georgios Tsagkogeorgas,Petri Vaattovaara,Yrjö Viisanen,Annele Virtanen,Aron Vrtala,Paul E. Wagner,Ernest Weingartner,Heike Wex,Christina Williamson,Daniela Wimmer,Daniela Wimmer,Penglin Ye,Taina Yli-Juuti,Kenneth S. Carslaw,Markku Kulmala,Markku Kulmala,Joachim Curtius,Urs Baltensperger,Douglas R. Worsnop,Hanna Vehkamäki,Jasper Kirkby,Jasper Kirkby +85 more
Role of sulphuric acid, ammonia and galactic cosmic rays in atmospheric aerosol nucleation
Jasper Kirkby,Joachim Curtius,Joao Almeida,Joao Almeida,Eimear M. Dunne,Jonathan Duplissy,Jonathan Duplissy,Jonathan Duplissy,Sebastian Ehrhart,Alessandro Franchin,Stephanie Gagne,Stephanie Gagne,Luisa Ickes,Andreas Kürten,Agnieszka Kupc,A. Metzger,Francesco Riccobono,Linda Rondo,Siegfried Schobesberger,Georgios Tsagkogeorgas,Daniela Wimmer,António Amorim,F. Bianchi,F. Bianchi,Martin Breitenlechner,A. David,Josef Dommen,Andrew J. Downard,Mikael Ehn,Richard C. Flagan,S. Haider,Armin Hansel,Daniel Hauser,Werner Jud,Heikki Junninen,Fabian Kreissl,Alexander N. Kvashin,Ari Laaksonen,Katrianne Lehtipalo,Jorge Lima,Edward R. Lovejoy,Vladimir Makhmutov,Serge Mathot,Jyri Mikkilä,Pierre Minginette,S. Mogo,Tuomo Nieminen,Antti Onnela,Paulo J. Pereira,Tuukka Petäjä,R. Schnitzhofer,John H. Seinfeld,Mikko Sipilä,Mikko Sipilä,Yuri Stozhkov,Frank Stratmann,António Tomé,Joonas Vanhanen,Yrjö Viisanen,Aron Vrtala,Paul E. Wagner,Hansueli Walther,Ernest Weingartner,Heike Wex,Paul M. Winkler,Kenneth S. Carslaw,Douglas R. Worsnop,Urs Baltensperger,Markku Kulmala +68 more
Direct observations of atmospheric aerosol nucleation.
Markku Kulmala,Jenni Kontkanen,Heikki Junninen,Katrianne Lehtipalo,Hanna E. Manninen,Tuomo Nieminen,Tuomo Nieminen,Tuukka Petäjä,Mikko Sipilä,Siegfried Schobesberger,Pekka Rantala,Alessandro Franchin,Tuija Jokinen,Emma Järvinen,Mikko Äijälä,Juha Kangasluoma,Jani Hakala,P. P. Aalto,Pauli Paasonen,Jyri Mikkilä,Joonas Vanhanen,Juho Aalto,Hannele Hakola,Ulla Makkonen,Taina Ruuskanen,Roy L. Mauldin,Roy L. Mauldin,Jonathan Duplissy,Hanna Vehkamäki,Jaana Bäck,Aki Kortelainen,Ilona Riipinen,Theo Kurtén,Murray V. Johnston,James N. Smith,James N. Smith,Mikael Ehn,Mikael Ehn,Thomas F. Mentel,Kari E. J. Lehtinen,Kari E. J. Lehtinen,Ari Laaksonen,Ari Laaksonen,Veli-Matti Kerminen,Douglas R. Worsnop +44 more