Articles | Volume 19, issue 21
https://doi.org/10.5194/acp-19-13355-2019
© 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-19-13355-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
30 Oct 2019
Research article |
| 30 Oct 2019
| 30 Oct 2019
Rate enhancement in collisions of sulfuric acid molecules due to long-range intermolecular forces
Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014, Helsinki, Finland
Evgeni Zapadinsky
Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014, Helsinki, Finland
Theo Kurtén
Institute for Atmospheric and Earth System Research/Chemistry, Faculty of Science, University of Helsinki, P.O. Box 55, 00014, Helsinki, Finland
Hanna Vehkamäki
Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014, Helsinki, Finland
Bernhard Reischl
Institute for Atmospheric and Earth System Research/Physics, Faculty of Science, University of Helsinki, P.O. Box 64, 00014, Helsinki, Finland
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Cited
32 citations as recorded by crossref.
- Carbon dioxide and propane nucleation: the emergence of a nucleation barrier J. Krohn et al. 10.1039/D0CP01771J
- Neutral Sulfuric Acid–Water Clustering Rates: Bridging the Gap between Molecular Simulation and Experiment P. Carlsson et al. 10.1021/acs.jpclett.0c01045
- The effectiveness of the coagulation sink of 3–10 nm atmospheric particles R. Cai et al. 10.5194/acp-22-11529-2022
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- Critical Role of Iodous Acid in Neutral Iodine Oxoacid Nucleation R. Zhang et al. 10.1021/acs.est.2c04328
- Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere F. Rasmussen et al. 10.1021/acs.jpca.2c04468
- Differing Mechanisms of New Particle Formation at Two Arctic Sites L. Beck et al. 10.1029/2020GL091334
- Identification of molecular cluster evaporation rates, cluster formation enthalpies and entropies by Monte Carlo method A. Shcherbacheva et al. 10.5194/acp-20-15867-2020
- Atmospheric nanoparticle growth D. Stolzenburg et al. 10.1103/RevModPhys.95.045002
- Calculation of the ion–ion recombination rate coefficient via a hybrid continuum-molecular dynamics approach T. Tamadate et al. 10.1063/1.5144772
- New Particle Formation from the Vapor Phase: From Barrier-Controlled Nucleation to the Collisional Limit K. Dingilian et al. 10.1021/acs.jpclett.1c00762
- Heterogeneous Nucleation of Butanol on NaCl: A Computational Study of Temperature, Humidity, Seed Charge, and Seed Size Effects A. Toropainen et al. 10.1021/acs.jpca.0c10972
- 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
- Towards fully ab initio simulation of atmospheric aerosol nucleation S. Jiang et al. 10.1038/s41467-022-33783-y
- Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation Y. Knattrup et al. 10.1021/acs.jpca.3c04393
- Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review J. Elm et al. 10.1002/wcms.1662
- Silica nanocluster binding rate coefficients from molecular dynamics trajectory calculations E. Goudeli et al. 10.1016/j.jaerosci.2020.105558
- The missing base molecules in atmospheric acid–base nucleation R. Cai et al. 10.1093/nsr/nwac137
- A consistent formation free energy definition for multicomponent clusters in quantum thermochemistry R. Halonen 10.1016/j.jaerosci.2022.105974
- Understanding vapor nucleation on the molecular level: A review C. Li & R. Signorell 10.1016/j.jaerosci.2020.105676
- Iodine oxoacids enhance nucleation of sulfuric acid particles in the atmosphere X. He et al. 10.1126/science.adh2526
- Enhanced growth rate of atmospheric particles from sulfuric acid D. Stolzenburg et al. 10.5194/acp-20-7359-2020
- 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
- Collision-sticking rates of acid–base clusters in the gas phase determined from atomistic simulation and a novel analytical interacting hard-sphere model H. Yang et al. 10.5194/acp-23-5993-2023
- How volatile components catalyze vapor nucleation C. Li et al. 10.1126/sciadv.abd9954
- A neural network parametrized coagulation rate model for <3 nm titanium dioxide nanoclusters T. Tamadate et al. 10.1063/5.0136592
- Homogeneous nucleation of carbon dioxide in supersonic nozzles II: molecular dynamics simulations and properties of nucleating clusters R. Halonen et al. 10.1039/D0CP05653G
- Modeling approaches for atmospheric ion–dipole collisions: all-atom trajectory simulations and central field methods I. Neefjes et al. 10.5194/acp-22-11155-2022
- Atmospheric Bases-Enhanced Iodic Acid Nucleation: Altitude-Dependent Characteristics and Molecular Mechanisms J. Li et al. 10.1021/acs.est.4c06053
- Nonisothermal nucleation in the gas phase is driven by cool subcritical clusters V. Tikkanen et al. 10.1073/pnas.2201955119
- Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulations R. Halonen et al. 10.1063/5.0148013
- Overlooked significance of iodic acid in new particle formation in the continental atmosphere A. Ning et al. 10.1073/pnas.2404595121
32 citations as recorded by crossref.
- Carbon dioxide and propane nucleation: the emergence of a nucleation barrier J. Krohn et al. 10.1039/D0CP01771J
- Neutral Sulfuric Acid–Water Clustering Rates: Bridging the Gap between Molecular Simulation and Experiment P. Carlsson et al. 10.1021/acs.jpclett.0c01045
- The effectiveness of the coagulation sink of 3–10 nm atmospheric particles R. Cai et al. 10.5194/acp-22-11529-2022
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- Critical Role of Iodous Acid in Neutral Iodine Oxoacid Nucleation R. Zhang et al. 10.1021/acs.est.2c04328
- Contribution of Methanesulfonic Acid to the Formation of Molecular Clusters in the Marine Atmosphere F. Rasmussen et al. 10.1021/acs.jpca.2c04468
- Differing Mechanisms of New Particle Formation at Two Arctic Sites L. Beck et al. 10.1029/2020GL091334
- Identification of molecular cluster evaporation rates, cluster formation enthalpies and entropies by Monte Carlo method A. Shcherbacheva et al. 10.5194/acp-20-15867-2020
- Atmospheric nanoparticle growth D. Stolzenburg et al. 10.1103/RevModPhys.95.045002
- Calculation of the ion–ion recombination rate coefficient via a hybrid continuum-molecular dynamics approach T. Tamadate et al. 10.1063/1.5144772
- New Particle Formation from the Vapor Phase: From Barrier-Controlled Nucleation to the Collisional Limit K. Dingilian et al. 10.1021/acs.jpclett.1c00762
- Heterogeneous Nucleation of Butanol on NaCl: A Computational Study of Temperature, Humidity, Seed Charge, and Seed Size Effects A. Toropainen et al. 10.1021/acs.jpca.0c10972
- 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
- Towards fully ab initio simulation of atmospheric aerosol nucleation S. Jiang et al. 10.1038/s41467-022-33783-y
- Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation Y. Knattrup et al. 10.1021/acs.jpca.3c04393
- Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review J. Elm et al. 10.1002/wcms.1662
- Silica nanocluster binding rate coefficients from molecular dynamics trajectory calculations E. Goudeli et al. 10.1016/j.jaerosci.2020.105558
- The missing base molecules in atmospheric acid–base nucleation R. Cai et al. 10.1093/nsr/nwac137
- A consistent formation free energy definition for multicomponent clusters in quantum thermochemistry R. Halonen 10.1016/j.jaerosci.2022.105974
- Understanding vapor nucleation on the molecular level: A review C. Li & R. Signorell 10.1016/j.jaerosci.2020.105676
- Iodine oxoacids enhance nucleation of sulfuric acid particles in the atmosphere X. He et al. 10.1126/science.adh2526
- Enhanced growth rate of atmospheric particles from sulfuric acid D. Stolzenburg et al. 10.5194/acp-20-7359-2020
- 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
- Collision-sticking rates of acid–base clusters in the gas phase determined from atomistic simulation and a novel analytical interacting hard-sphere model H. Yang et al. 10.5194/acp-23-5993-2023
- How volatile components catalyze vapor nucleation C. Li et al. 10.1126/sciadv.abd9954
- A neural network parametrized coagulation rate model for <3 nm titanium dioxide nanoclusters T. Tamadate et al. 10.1063/5.0136592
- Homogeneous nucleation of carbon dioxide in supersonic nozzles II: molecular dynamics simulations and properties of nucleating clusters R. Halonen et al. 10.1039/D0CP05653G
- Modeling approaches for atmospheric ion–dipole collisions: all-atom trajectory simulations and central field methods I. Neefjes et al. 10.5194/acp-22-11155-2022
- Atmospheric Bases-Enhanced Iodic Acid Nucleation: Altitude-Dependent Characteristics and Molecular Mechanisms J. Li et al. 10.1021/acs.est.4c06053
- Nonisothermal nucleation in the gas phase is driven by cool subcritical clusters V. Tikkanen et al. 10.1073/pnas.2201955119
- Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulations R. Halonen et al. 10.1063/5.0148013
- Overlooked significance of iodic acid in new particle formation in the continental atmosphere A. Ning et al. 10.1073/pnas.2404595121
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The rate of collisions between molecules or clusters is used to determine particle formation in the atmosphere. The basic approach is to treat the colliding particles as noninteracting hard spheres. By using atomistic simulations with a realistic force field and theoretical approaches, we showed that the actual collision rate of two sulfuric acid molecules is more than twice as high as that for hard spheres. The results of this study will improve models of atmospheric particle growth.
The rate of collisions between molecules or clusters is used to determine particle formation in...
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