A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Microscopic Insights Into the Formation of Methanesulfonic Acid–Methylamine–Ammonia Particles Under Acid-Rich Conditions (2022)

Liu, M., Myllys, N., Han, Y., Wang, Z., Chen, L., Liu, W., & Xu, J. (2022). Microscopic Insights Into the Formation of Methanesulfonic Acid–Methylamine–Ammonia Particles Under Acid-Rich Conditions. Frontiers in Ecology and Evolution, 10, Article 875585. https://doi.org/10.3389/fevo.2022.875585

JYU-tekijät tai -toimittajat

Julkaisun tiedot

Julkaisun kaikki tekijät tai toimittajat: Liu, Min; Myllys, Nanna; Han, Yaning; Wang, Zhongteng; Chen, Liang; Liu, Wei; Xu, Jing

Lehti tai sarja: Frontiers in Ecology and Evolution

eISSN: 2296-701X

Julkaisuvuosi: 2022

Ilmestymispäivä: 13.04.2022

Volyymi: 10

Artikkelinumero: 875585

Kustantaja: Frontiers Media SA

Julkaisumaa: Sveitsi

Julkaisun kieli: englanti

DOI: https://doi.org/10.3389/fevo.2022.875585

Julkaisun avoin saatavuus: Avoimesti saatavilla

Julkaisukanavan avoin saatavuus: Kokonaan avoin julkaisukanava

Julkaisu on rinnakkaistallennettu (JYX): https://jyx.jyu.fi/handle/123456789/80847

Tiivistelmä

Understanding the microscopic mechanisms of new particle formation under acid-rich conditions is of significance in atmospheric science. Using quantum chemistry calculations, we investigated the microscopic formation mechanism of methanesulfonic acid (MSA)–methylamine (MA)–ammonia (NH3) clusters. We focused on the binary (MSA)2n-(MA)n and ternary (MSA)3n-(MA)n-(NH3)n, (n = 1–4) systems which contain more acid than base molecules. We found that the lowest-energy isomers in each system possess considerable thermodynamic and dynamic stabilities. In studied cluster structures, all bases are protonated, and they form stable ion pairs with MSA, which contribute to the charge transfer and the stability of clusters. MA and NH3 have a synergistic effect on NPF under acid-rich conditions, and the role of NH3 becomes more remarkable as cluster size increases. The excess of MSA molecules does not only enhance the stability of clusters, but provides potential sites for further growth.

YSO-asiasanat: aerosolit; pienhiukkaset; klusterit; rikkiyhdisteet; typpiyhdisteet; ammoniakki; happamuus (kemia); ilmakemia

Vapaat asiasanat: methanesulfonic acid–methylamine–ammonia particles; new particle formation; acid-rich condition; acid:base ratio; proton transfer

Liittyvät organisaatiot

OKM-raportointi: Kyllä

Raportointivuosi: 2022

JUFO-taso: 1