biostudies-literatureZhao XFundamental Research Fund of Shandong UniversityNational Natural Science Foundation of ChinaMinistry of Science and Higher Education of the Russian FederationChina Postdoctoral Science FoundationRussian Science FoundationChinese Research Academy of Environmental Sciences493-500https://www.ebi.ac.uk/biostudies/studies/S-EPMC8690887biostudies-literatureUnknown11(1)Propionamide (PA), an important pollutant emitted into the atmosphere from a variety of sources, is abundant in many areas worldwide, and could be involved in new particle formation (NPF). In this study, the enhancement of the H₂SO₄ (SA)-based NPF by PA was evaluated through investigating the formation mechanism of (PA) _<i>m</i> (SA) _<i>n</i> (<i>m</i> = 0-3 and <i>n</i> = 0-3) clusters using computational chemistry and kinetics modeling. Our study proved that the formation of all the PA-containing clusters is thermodynamically favorable. Furthermore, the [double bond, length as m-dash]O group in PA plays an important role in the clusters with more PA than SA, and the basicity of bases exerts a greater influence with an increasing amount of SA. WRSC advancesPropionamide participating in H₂SO₄-based new particle formation: a theory study.PMC86908872017JC03318-11-00247218761022017T100493FSFS-2020-00312016OFP09916442142016WLJH512017M61227721976107Nadykto ABLi YXu FWang WZuo CSun YDu LZhang QZhao XXu YfalsePropionamide participating in H₂SO₄-based new particle formation: a theory study.Propionamide (PA), an important pollutant emitted into the atmosphere from a variety of sources, is abundant in many areas worldwide, and could be involved in new particle formation (NPF). In this study, the enhancement of the H₂SO₄ (SA)-based NPF by PA was evaluated through investigating the formation mechanism of (PA) _<i>m</i> (SA) _<i>n</i> (<i>m</i> = 0-3 and <i>n</i> = 0-3) clusters using computational chemistry and kinetics modeling. Our study proved that the formation of all the PA-containing clusters is thermodynamically favorable. Furthermore, the [double bond, length as m-dash]O group in PA plays an important role in the clusters with more PA than SA, and the basicity of bases exerts a greater influence with an increasing amount of SA. W2020-01-01T00:00:00Z2020 Dec2025-04-05T13:07:55.965Z2025-04-05T13:07:55.965ZS-EPMC86908873542302510.1039/d0ra09323h