Gas-phase aldol condensation of formaldehyde to produce hydroxyacetaldehyde and its implication to new particle formation: a theoretical study.

ABSTRACT: Aldehydes have been proposed as important precursor species in new particle formation (NPF). Although formaldehyde (CH₂O) has minimal direct involvement in sulfuric acid (H₂SO₄) and water nucleation, it remains unclear whether its atmospheric aldol condensation product, hydroxyacetaldehyde (C₂H₄O₂), one of the simplest bifunctional oxygenated volatile organic compounds (OVOCs), plays a role in NPF. This study investigates both the aldol condensation of CH₂O and its role in NPF involving H₂SO₄ and C₂H₄O₂ through quantum chemical calculations and atmospheric cluster dynamics modeling. Kinetic calculations indicate that the reaction rate of CH₂O aldol

SUBMITTER: Tang N 

PROVIDER: S-EPMC11610746 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature