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Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation

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Guanidine : A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. / Myllys, Nanna; Ponkkonen, Tuomo; Passananti, Monica; Elm, Jonas; Vehkamäki, Hanna; Olenius, Tinja.

In: Journal of Physical Chemistry A, Vol. 122, No. 20, 24.05.2018, p. 4717-4729.

Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

Harvard

Myllys, N, Ponkkonen, T, Passananti, M, Elm, J, Vehkamäki, H & Olenius, T 2018, 'Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation', Journal of Physical Chemistry A, vol. 122, no. 20, pp. 4717-4729. https://doi.org/10.1021/acs.jpca.8b02507

APA

Myllys, N., Ponkkonen, T., Passananti, M., Elm, J., Vehkamäki, H., & Olenius, T. (2018). Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. Journal of Physical Chemistry A, 122(20), 4717-4729. https://doi.org/10.1021/acs.jpca.8b02507

CBE

Myllys N, Ponkkonen T, Passananti M, Elm J, Vehkamäki H, Olenius T. 2018. Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. Journal of Physical Chemistry A. 122(20):4717-4729. https://doi.org/10.1021/acs.jpca.8b02507

MLA

Myllys, Nanna et al. "Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation". Journal of Physical Chemistry A. 2018, 122(20). 4717-4729. https://doi.org/10.1021/acs.jpca.8b02507

Vancouver

Myllys N, Ponkkonen T, Passananti M, Elm J, Vehkamäki H, Olenius T. Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. Journal of Physical Chemistry A. 2018 May 24;122(20):4717-4729. https://doi.org/10.1021/acs.jpca.8b02507

Author

Myllys, Nanna ; Ponkkonen, Tuomo ; Passananti, Monica ; Elm, Jonas ; Vehkamäki, Hanna ; Olenius, Tinja. / Guanidine : A Highly Efficient Stabilizer in Atmospheric New-Particle Formation. In: Journal of Physical Chemistry A. 2018 ; Vol. 122, No. 20. pp. 4717-4729.

Bibtex

@article{9a2e43461a554d858aec05763c843092,
title = "Guanidine: A Highly Efficient Stabilizer in Atmospheric New-Particle Formation",
abstract = "The role of a strong organobase, guanidine, in sulfuric acid-driven new-particle formation is studied using state-of-the-art quantum chemical methods and molecular cluster formation simulations. Cluster formation mechanisms at the molecular level are resolved, and theoretical results on cluster stability are confirmed with mass spectrometer measurements. New-particle formation from guanidine and sulfuric acid molecules occurs without thermodynamic barriers under studied conditions, and clusters are growing close to a 1:1 composition of acid and base. Evaporation rates of the most stable clusters are extremely low, which can be explained by the proton transfers and symmetrical cluster structures. We compare the ability of guanidine and dimethylamine to enhance sulfuric acid-driven particle formation and show that more than 2000-fold concentration of dimethylamine is needed to yield as efficient particle formation as in the case of guanidine. At similar conditions, guanidine yields 8 orders of magnitude higher particle formation rates compared to dimethylamine. Highly basic compounds such as guanidine may explain experimentally observed particle formation events at low precursor vapor concentrations, whereas less basic and more abundant bases such as ammonia and amines are likely to explain measurements at high concentrations.",
author = "Nanna Myllys and Tuomo Ponkkonen and Monica Passananti and Jonas Elm and Hanna Vehkam{\"a}ki and Tinja Olenius",
year = "2018",
month = may,
day = "24",
doi = "10.1021/acs.jpca.8b02507",
language = "English",
volume = "122",
pages = "4717--4729",
journal = "Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory",
issn = "1089-5639",
publisher = "AMER CHEMICAL SOC",
number = "20",

}

RIS

TY - JOUR

T1 - Guanidine

T2 - A Highly Efficient Stabilizer in Atmospheric New-Particle Formation

AU - Myllys, Nanna

AU - Ponkkonen, Tuomo

AU - Passananti, Monica

AU - Elm, Jonas

AU - Vehkamäki, Hanna

AU - Olenius, Tinja

PY - 2018/5/24

Y1 - 2018/5/24

N2 - The role of a strong organobase, guanidine, in sulfuric acid-driven new-particle formation is studied using state-of-the-art quantum chemical methods and molecular cluster formation simulations. Cluster formation mechanisms at the molecular level are resolved, and theoretical results on cluster stability are confirmed with mass spectrometer measurements. New-particle formation from guanidine and sulfuric acid molecules occurs without thermodynamic barriers under studied conditions, and clusters are growing close to a 1:1 composition of acid and base. Evaporation rates of the most stable clusters are extremely low, which can be explained by the proton transfers and symmetrical cluster structures. We compare the ability of guanidine and dimethylamine to enhance sulfuric acid-driven particle formation and show that more than 2000-fold concentration of dimethylamine is needed to yield as efficient particle formation as in the case of guanidine. At similar conditions, guanidine yields 8 orders of magnitude higher particle formation rates compared to dimethylamine. Highly basic compounds such as guanidine may explain experimentally observed particle formation events at low precursor vapor concentrations, whereas less basic and more abundant bases such as ammonia and amines are likely to explain measurements at high concentrations.

AB - The role of a strong organobase, guanidine, in sulfuric acid-driven new-particle formation is studied using state-of-the-art quantum chemical methods and molecular cluster formation simulations. Cluster formation mechanisms at the molecular level are resolved, and theoretical results on cluster stability are confirmed with mass spectrometer measurements. New-particle formation from guanidine and sulfuric acid molecules occurs without thermodynamic barriers under studied conditions, and clusters are growing close to a 1:1 composition of acid and base. Evaporation rates of the most stable clusters are extremely low, which can be explained by the proton transfers and symmetrical cluster structures. We compare the ability of guanidine and dimethylamine to enhance sulfuric acid-driven particle formation and show that more than 2000-fold concentration of dimethylamine is needed to yield as efficient particle formation as in the case of guanidine. At similar conditions, guanidine yields 8 orders of magnitude higher particle formation rates compared to dimethylamine. Highly basic compounds such as guanidine may explain experimentally observed particle formation events at low precursor vapor concentrations, whereas less basic and more abundant bases such as ammonia and amines are likely to explain measurements at high concentrations.

UR - http://www.scopus.com/inward/record.url?scp=85046454144&partnerID=8YFLogxK

U2 - 10.1021/acs.jpca.8b02507

DO - 10.1021/acs.jpca.8b02507

M3 - Journal article

C2 - 29693391

AN - SCOPUS:85046454144

VL - 122

SP - 4717

EP - 4729

JO - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

JF - Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory

SN - 1089-5639

IS - 20

ER -