Articles | Volume 19, issue 15
https://doi.org/10.5194/acp-19-9753-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-19-9753-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Role of base strength, cluster structure and charge in sulfuric-acid-driven particle formation
Department of Chemistry, University of California, Irvine, CA, USA
Institute for Atmospheric and Earth System Research, University of Helsinki, Helsinki, Finland
Jakub Kubečka
Institute for Atmospheric and Earth System Research, University of Helsinki, Helsinki, Finland
Vitus Besel
Institute for Atmospheric and Earth System Research, University of Helsinki, Helsinki, Finland
Dina Alfaouri
Institute for Atmospheric and Earth System Research, University of Helsinki, Helsinki, Finland
Tinja Olenius
Department of Environmental Science and Analytical Chemistry & Bolin Centre for Climate Research, Stockholm University, Stockholm, Sweden
James Norman Smith
Department of Chemistry, University of California, Irvine, CA, USA
Monica Passananti
Institute for Atmospheric and Earth System Research, University of Helsinki, Helsinki, Finland
Dipartimento di Chimica, Universitá di Torino, Turin, Italy
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Cited
53 citations as recorded by crossref.
- Tri-Base Synergy in Sulfuric Acid-Base Clusters H. Xie & J. Elm 10.3390/atmos12101260
- Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid M. Engsvang et al. 10.1063/5.0152517
- Ab initio metadynamics calculations of dimethylamine for probing pKb variations in bulk vs. surface environments S. Biswas et al. 10.1039/D0CP03832F
- Determinant Factor for Thermodynamic Stability of Sulfuric Acid–Amine Complexes J. Han et al. 10.1021/acs.jpca.0c07908
- Hydration motifs of ammonium bisulfate clusters show complex temperature dependence J. Kreinbihl et al. 10.1063/5.0037965
- The missing base molecules in atmospheric acid–base nucleation R. Cai et al. 10.1093/nsr/nwac137
- Water-Mediated Peptide Bond Formation in the Gas Phase: A Model Prebiotic Reaction A. Gale et al. 10.1021/acs.jpca.0c02906
- Clusteromics V: Organic Enhanced Atmospheric Cluster Formation D. Ayoubi et al. 10.1021/acsomega.3c00251
- Effect of an Electric Field on the Structure and Stability of Atmospheric Clusters C. Daub & T. Kurtén 10.1021/acs.jpca.3c07260
- A molecular-scale study on the role of methanesulfinic acid in marine new particle formation A. Ning et al. 10.1016/j.atmosenv.2020.117378
- An indicator for sulfuric acid–amine nucleation in atmospheric environments R. Cai et al. 10.1080/02786826.2021.1922598
- A dynamic parameterization of sulfuric acid–dimethylamine nucleation and its application in three-dimensional modeling Y. Li et al. 10.5194/acp-23-8789-2023
- Significant contributions of trimethylamine to sulfuric acid nucleation in polluted environments R. Cai et al. 10.1038/s41612-023-00405-3
- The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, nitric acid, hydrochloric acid, ammonia, and dimethylamine O. Longsworth et al. 10.1039/D3EA00118K
- Atmospheric clusters to nanoparticles: Recent progress and challenges in closing the gap in chemical composition J. Smith et al. 10.1016/j.jaerosci.2020.105733
- A predictive model for salt nanoparticle formation using heterodimer stability calculations S. Chee et al. 10.5194/acp-21-11637-2021
- Clusteromics III: Acid Synergy in Sulfuric Acid–Methanesulfonic Acid–Base Cluster Formation J. Elm 10.1021/acsomega.2c01396
- Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters G. Schmitz & J. Elm 10.1021/acsomega.0c00436
- Role of gas–molecular cluster–aerosol dynamics in atmospheric new-particle formation T. Olenius & P. Roldin 10.1038/s41598-022-14525-y
- Spatial Inhomogeneity of New Particle Formation in the Urban and Mountainous Atmospheres of the North China Plain during the 2022 Winter Olympics D. Shang et al. 10.3390/atmos14091395
- Global optimization of chemical cluster structures: Methods, applications, and challenges J. Zhang & V. Glezakou 10.1002/qua.26553
- Clusteromics I: Principles, Protocols, and Applications to Sulfuric Acid–Base Cluster Formation J. Elm 10.1021/acsomega.1c00306
- The driving effects of common atmospheric molecules for formation of prenucleation clusters: the case of sulfuric acid, formic acid, nitric acid, ammonia, and dimethyl amine C. Bready et al. 10.1039/D2EA00087C
- Acid–Base Clusters during Atmospheric New Particle Formation in Urban Beijing R. Yin et al. 10.1021/acs.est.1c02701
- A study on the fragmentation of sulfuric acid and dimethylamine clusters inside an atmospheric pressure interface time-of-flight mass spectrometer D. Alfaouri et al. 10.5194/amt-15-11-2022
- Natural Marine Precursors Boost Continental New Particle Formation and Production of Cloud Condensation Nuclei R. de Jonge et al. 10.1021/acs.est.4c01891
- Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches T. Olenius et al. 10.1039/D2EA00174H
- Role of Iodine-Assisted Aerosol Particle Formation in Antarctica C. Xavier et al. 10.1021/acs.est.3c09103
- Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters F. Rasmussen et al. 10.1021/acs.jpca.0c02932
- Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine C. Bready et al. 10.1021/acs.jpca.2c03539
- Atmospheric Sulfuric Acid–Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning J. Kubečka et al. 10.1021/acs.jpca.3c00068
- The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, formic acid, hydrochloric acid, ammonia, and dimethylamine O. Longsworth et al. 10.1039/D3EA00087G
- J-GAIN v1.1: a flexible tool to incorporate aerosol formation rates obtained by molecular models into large-scale models D. Yazgi & T. Olenius 10.5194/gmd-16-5237-2023
- Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid–multi-base systems Y. Knattrup et al. 10.1039/D4RA03021D
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- Impacts of coagulation on the appearance time method for new particle growth rate evaluation and their corrections R. Cai et al. 10.5194/acp-21-2287-2021
- Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation Y. Knattrup & J. Elm 10.1021/acsomega.2c04278
- Sulfuric acid–amine nucleation in urban Beijing R. Cai et al. 10.5194/acp-21-2457-2021
- Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning J. Kubečka et al. 10.1021/acsomega.3c07412
- Enhancing Potential of Trimethylamine Oxide on Atmospheric Particle Formation N. Myllys et al. 10.3390/atmos11010035
- Computational chemistry of cluster: Understanding the mechanism of atmospheric new particle formation at the molecular level X. Zhang et al. 10.1016/j.chemosphere.2022.136109
- Molecular properties affecting the hydration of acid–base clusters N. Myllys et al. 10.1039/D1CP01704G
- Structural Diversity of Protonated Citric Acid-Ammonia Clusters and Its Atmospheric Implication S. Zhou et al. 10.1021/acs.jpca.3c05160
- Hydrogen-Bond Topology Is More Important Than Acid/Base Strength in Atmospheric Prenucleation Clusters S. Harold et al. 10.1021/acs.jpca.1c10754
- Atmospherically Relevant Chemistry and Aerosol box model – ARCA box (version 1.2) P. Clusius et al. 10.5194/gmd-15-7257-2022
- Sulfuric Acid-Driven Nucleation Enhanced by Amines from Ethanol Gasoline Vehicle Emission: Machine Learning Model and Mechanistic Study F. Ma et al. 10.1021/acs.est.4c06578
- The driving factors of new particle formation and growth in the polluted boundary layer M. Xiao et al. 10.5194/acp-21-14275-2021
- The synergistic effects of methanesulfonic acid (MSA) and methanesulfinic acid (MSIA) on marine new particle formation A. Ning & X. Zhang 10.1016/j.atmosenv.2021.118826
- Formation and growth of sub-3 nm particles in megacities: impact of background aerosols C. Deng et al. 10.1039/D0FD00083C
- Establishing the structural motifs present in small ammonium and aminium bisulfate clusters of relevance to atmospheric new particle formation J. Kreinbihl et al. 10.1063/5.0015094
- Atmospheric nanoparticle growth D. Stolzenburg et al. 10.1103/RevModPhys.95.045002
- The role of hydration in atmospheric salt particle formation N. Myllys 10.1039/D3CP00049D
- Chemical identification of new particle formation and growth precursors through positive matrix factorization of ambient ion measurements D. Katz et al. 10.5194/acp-23-5567-2023
53 citations as recorded by crossref.
- Tri-Base Synergy in Sulfuric Acid-Base Clusters H. Xie & J. Elm 10.3390/atmos12101260
- Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid M. Engsvang et al. 10.1063/5.0152517
- Ab initio metadynamics calculations of dimethylamine for probing pKb variations in bulk vs. surface environments S. Biswas et al. 10.1039/D0CP03832F
- Determinant Factor for Thermodynamic Stability of Sulfuric Acid–Amine Complexes J. Han et al. 10.1021/acs.jpca.0c07908
- Hydration motifs of ammonium bisulfate clusters show complex temperature dependence J. Kreinbihl et al. 10.1063/5.0037965
- The missing base molecules in atmospheric acid–base nucleation R. Cai et al. 10.1093/nsr/nwac137
- Water-Mediated Peptide Bond Formation in the Gas Phase: A Model Prebiotic Reaction A. Gale et al. 10.1021/acs.jpca.0c02906
- Clusteromics V: Organic Enhanced Atmospheric Cluster Formation D. Ayoubi et al. 10.1021/acsomega.3c00251
- Effect of an Electric Field on the Structure and Stability of Atmospheric Clusters C. Daub & T. Kurtén 10.1021/acs.jpca.3c07260
- A molecular-scale study on the role of methanesulfinic acid in marine new particle formation A. Ning et al. 10.1016/j.atmosenv.2020.117378
- An indicator for sulfuric acid–amine nucleation in atmospheric environments R. Cai et al. 10.1080/02786826.2021.1922598
- A dynamic parameterization of sulfuric acid–dimethylamine nucleation and its application in three-dimensional modeling Y. Li et al. 10.5194/acp-23-8789-2023
- Significant contributions of trimethylamine to sulfuric acid nucleation in polluted environments R. Cai et al. 10.1038/s41612-023-00405-3
- The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, nitric acid, hydrochloric acid, ammonia, and dimethylamine O. Longsworth et al. 10.1039/D3EA00118K
- Atmospheric clusters to nanoparticles: Recent progress and challenges in closing the gap in chemical composition J. Smith et al. 10.1016/j.jaerosci.2020.105733
- A predictive model for salt nanoparticle formation using heterodimer stability calculations S. Chee et al. 10.5194/acp-21-11637-2021
- Clusteromics III: Acid Synergy in Sulfuric Acid–Methanesulfonic Acid–Base Cluster Formation J. Elm 10.1021/acsomega.2c01396
- Assessment of the DLPNO Binding Energies of Strongly Noncovalent Bonded Atmospheric Molecular Clusters G. Schmitz & J. Elm 10.1021/acsomega.0c00436
- Role of gas–molecular cluster–aerosol dynamics in atmospheric new-particle formation T. Olenius & P. Roldin 10.1038/s41598-022-14525-y
- Spatial Inhomogeneity of New Particle Formation in the Urban and Mountainous Atmospheres of the North China Plain during the 2022 Winter Olympics D. Shang et al. 10.3390/atmos14091395
- Global optimization of chemical cluster structures: Methods, applications, and challenges J. Zhang & V. Glezakou 10.1002/qua.26553
- Clusteromics I: Principles, Protocols, and Applications to Sulfuric Acid–Base Cluster Formation J. Elm 10.1021/acsomega.1c00306
- The driving effects of common atmospheric molecules for formation of prenucleation clusters: the case of sulfuric acid, formic acid, nitric acid, ammonia, and dimethyl amine C. Bready et al. 10.1039/D2EA00087C
- Acid–Base Clusters during Atmospheric New Particle Formation in Urban Beijing R. Yin et al. 10.1021/acs.est.1c02701
- A study on the fragmentation of sulfuric acid and dimethylamine clusters inside an atmospheric pressure interface time-of-flight mass spectrometer D. Alfaouri et al. 10.5194/amt-15-11-2022
- Natural Marine Precursors Boost Continental New Particle Formation and Production of Cloud Condensation Nuclei R. de Jonge et al. 10.1021/acs.est.4c01891
- Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches T. Olenius et al. 10.1039/D2EA00174H
- Role of Iodine-Assisted Aerosol Particle Formation in Antarctica C. Xavier et al. 10.1021/acs.est.3c09103
- Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters F. Rasmussen et al. 10.1021/acs.jpca.0c02932
- Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine C. Bready et al. 10.1021/acs.jpca.2c03539
- Atmospheric Sulfuric Acid–Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning J. Kubečka et al. 10.1021/acs.jpca.3c00068
- The driving effects of common atmospheric molecules for formation of clusters: the case of sulfuric acid, formic acid, hydrochloric acid, ammonia, and dimethylamine O. Longsworth et al. 10.1039/D3EA00087G
- J-GAIN v1.1: a flexible tool to incorporate aerosol formation rates obtained by molecular models into large-scale models D. Yazgi & T. Olenius 10.5194/gmd-16-5237-2023
- Reparameterization of GFN1-xTB for atmospheric molecular clusters: applications to multi-acid–multi-base systems Y. Knattrup et al. 10.1039/D4RA03021D
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- Impacts of coagulation on the appearance time method for new particle growth rate evaluation and their corrections R. Cai et al. 10.5194/acp-21-2287-2021
- Clusteromics IV: The Role of Nitric Acid in Atmospheric Cluster Formation Y. Knattrup & J. Elm 10.1021/acsomega.2c04278
- Sulfuric acid–amine nucleation in urban Beijing R. Cai et al. 10.5194/acp-21-2457-2021
- Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning J. Kubečka et al. 10.1021/acsomega.3c07412
- Enhancing Potential of Trimethylamine Oxide on Atmospheric Particle Formation N. Myllys et al. 10.3390/atmos11010035
- Computational chemistry of cluster: Understanding the mechanism of atmospheric new particle formation at the molecular level X. Zhang et al. 10.1016/j.chemosphere.2022.136109
- Molecular properties affecting the hydration of acid–base clusters N. Myllys et al. 10.1039/D1CP01704G
- Structural Diversity of Protonated Citric Acid-Ammonia Clusters and Its Atmospheric Implication S. Zhou et al. 10.1021/acs.jpca.3c05160
- Hydrogen-Bond Topology Is More Important Than Acid/Base Strength in Atmospheric Prenucleation Clusters S. Harold et al. 10.1021/acs.jpca.1c10754
- Atmospherically Relevant Chemistry and Aerosol box model – ARCA box (version 1.2) P. Clusius et al. 10.5194/gmd-15-7257-2022
- Sulfuric Acid-Driven Nucleation Enhanced by Amines from Ethanol Gasoline Vehicle Emission: Machine Learning Model and Mechanistic Study F. Ma et al. 10.1021/acs.est.4c06578
- The driving factors of new particle formation and growth in the polluted boundary layer M. Xiao et al. 10.5194/acp-21-14275-2021
- The synergistic effects of methanesulfonic acid (MSA) and methanesulfinic acid (MSIA) on marine new particle formation A. Ning & X. Zhang 10.1016/j.atmosenv.2021.118826
- Formation and growth of sub-3 nm particles in megacities: impact of background aerosols C. Deng et al. 10.1039/D0FD00083C
- Establishing the structural motifs present in small ammonium and aminium bisulfate clusters of relevance to atmospheric new particle formation J. Kreinbihl et al. 10.1063/5.0015094
- Atmospheric nanoparticle growth D. Stolzenburg et al. 10.1103/RevModPhys.95.045002
- The role of hydration in atmospheric salt particle formation N. Myllys 10.1039/D3CP00049D
- Chemical identification of new particle formation and growth precursors through positive matrix factorization of ambient ion measurements D. Katz et al. 10.5194/acp-23-5567-2023
Latest update: 26 Dec 2024
Short summary
In atmospheric sulfuric-acid-driven particle formation, bases are able to stabilize the initial molecular clusters and thus enhance particle formation. We have investigated the enhancing potential of different bases in atmospheric particle formation. We show that strong bases with low abundance are likely to dominate electrically neutral particle formation, whereas weak bases with high abundance have a larger role in ion-mediated particle formation.
In atmospheric sulfuric-acid-driven particle formation, bases are able to stabilize the initial...
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