Articles | Volume 21, issue 15
https://doi.org/10.5194/acp-21-11637-2021
© 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/acp-21-11637-2021
© Author(s) 2021. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
05 Aug 2021
Research article |
| 05 Aug 2021
| 05 Aug 2021
A predictive model for salt nanoparticle formation using heterodimer stability calculations
Sabrina Chee
Department of Chemistry, University of California, Irvine, CA, USA
Kelley Barsanti
Department of Chemical & Environmental Engineering, University of California, Riverside, CA, USA
Department of Chemistry, University of California, Irvine, CA, USA
Department of Chemistry, University of California, Irvine, CA, USA
Department of Chemistry, University of Jyväskylä, Jyväskylä, Finland
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Cited
17 citations as recorded by crossref.
- Decomposition and Growth Pathways for Ammonium Nitrate Clusters and Nanoparticles U. Hassan et al. https://doi.org/10.1021/acs.jpca.4c04630
- 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. https://doi.org/10.1039/D3EA00087G
- Significant contributions of trimethylamine to sulfuric acid nucleation in polluted environments R. Cai et al. https://doi.org/10.1038/s41612-023-00405-3
- Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine C. Bready et al. https://doi.org/10.1021/acs.jpca.2c03539
- Studies on the conformation, thermodynamics, and evaporation rate characteristics of sulfuric acid and amines molecular clusters J. Chen https://doi.org/10.1016/j.rechem.2022.100527
- 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. https://doi.org/10.1039/D3EA00118K
- Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches T. Olenius et al. https://doi.org/10.1039/D2EA00174H
- Decomposition pathways of isoprene-derived hydrotrioxides and their clustering abilities in the atmosphere E. Ahongshangbam et al. https://doi.org/10.1039/D4CP04329D
- Atmospheric Sulfuric Acid Dimer Formation in a Polluted Environment K. Yin et al. https://doi.org/10.3390/ijerph19116848
- The missing base molecules in atmospheric acid–base nucleation R. Cai et al. https://doi.org/10.1093/nsr/nwac137
- Atmospheric aerosol nucleation: a methodological review of theoretical calculations and molecular simulation Y. Lian et al. https://doi.org/10.1039/D6EA00026F
- Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid M. Engsvang et al. https://doi.org/10.1063/5.0152517
- Microscopic Insights Into the Formation of Methanesulfonic Acid–Methylamine–Ammonia Particles Under Acid-Rich Conditions M. Liu et al. https://doi.org/10.3389/fevo.2022.875585
- The role of hydration in atmospheric salt particle formation N. Myllys https://doi.org/10.1039/D3CP00049D
- Measurement of atmospheric nanoparticles: Bridging the gap between gas-phase molecules and larger particles C. Peng et al. https://doi.org/10.1016/j.jes.2022.03.006
- 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. https://doi.org/10.1039/D2EA00087C
- Implications for new particle formation in air of the use of monoethanolamine in carbon capture and storage V. Perraud et al. https://doi.org/10.1039/D4CP00316K
17 citations as recorded by crossref.
- Decomposition and Growth Pathways for Ammonium Nitrate Clusters and Nanoparticles U. Hassan et al. https://doi.org/10.1021/acs.jpca.4c04630
- 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. https://doi.org/10.1039/D3EA00087G
- Significant contributions of trimethylamine to sulfuric acid nucleation in polluted environments R. Cai et al. https://doi.org/10.1038/s41612-023-00405-3
- Amino Acids Compete with Ammonia in Sulfuric Acid-Based Atmospheric Aerosol Prenucleation: The Case of Glycine and Serine C. Bready et al. https://doi.org/10.1021/acs.jpca.2c03539
- Studies on the conformation, thermodynamics, and evaporation rate characteristics of sulfuric acid and amines molecular clusters J. Chen https://doi.org/10.1016/j.rechem.2022.100527
- 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. https://doi.org/10.1039/D3EA00118K
- Reducing chemical complexity in representation of new-particle formation: evaluation of simplification approaches T. Olenius et al. https://doi.org/10.1039/D2EA00174H
- Decomposition pathways of isoprene-derived hydrotrioxides and their clustering abilities in the atmosphere E. Ahongshangbam et al. https://doi.org/10.1039/D4CP04329D
- Atmospheric Sulfuric Acid Dimer Formation in a Polluted Environment K. Yin et al. https://doi.org/10.3390/ijerph19116848
- The missing base molecules in atmospheric acid–base nucleation R. Cai et al. https://doi.org/10.1093/nsr/nwac137
- Atmospheric aerosol nucleation: a methodological review of theoretical calculations and molecular simulation Y. Lian et al. https://doi.org/10.1039/D6EA00026F
- Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid M. Engsvang et al. https://doi.org/10.1063/5.0152517
- Microscopic Insights Into the Formation of Methanesulfonic Acid–Methylamine–Ammonia Particles Under Acid-Rich Conditions M. Liu et al. https://doi.org/10.3389/fevo.2022.875585
- The role of hydration in atmospheric salt particle formation N. Myllys https://doi.org/10.1039/D3CP00049D
- Measurement of atmospheric nanoparticles: Bridging the gap between gas-phase molecules and larger particles C. Peng et al. https://doi.org/10.1016/j.jes.2022.03.006
- 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. https://doi.org/10.1039/D2EA00087C
- Implications for new particle formation in air of the use of monoethanolamine in carbon capture and storage V. Perraud et al. https://doi.org/10.1039/D4CP00316K
Saved (final revised paper)
Latest update: 30 May 2026
Short summary
We explored molecular properties affecting atmospheric particle formation efficiency and derived a parameterization between particle formation rate and heterodimer concentration, which showed good agreement to previously reported experimental data. Considering the simplicity of calculating heterodimer concentration, this approach has potential to improve estimates of global cloud condensation nuclei in models that are limited by the computational expense of calculating particle formation rate.
We explored molecular properties affecting atmospheric particle formation efficiency and derived...
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