Theoretical Study of the Gas-Phase Hydrolysis of Formaldehyde to Produce Methanediol and Its Implication to New Particle Formation.

ABSTRACT: Aldehydes were speculated to be important precursor species in new particle formation (NPF). The direct involvement of formaldehyde (CH₂O) in sulfuric acid and water nucleation is negligible; however, whether its atmospheric hydrolysate, methanediol (CH₂(OH)₂), which contains two hydroxyl groups, participates in NPF is not known. This work investigates both CH₂O hydrolysis and NPF from sulfuric acid and CH₂(OH)₂ with quantum chemistry calculations and atmospheric cluster dynamics modeling. Kinetic calculation shows that reaction rates of the gas-phase hydrolysis of CH₂O catalyzed by sulfuric acid are 11-15 orders of magnitude faster than those of the naked path at 253-298 K. Based on structures and the calculated

SUBMITTER: Wang C 

PROVIDER: S-EPMC10157852 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature