Work

Formation of HONO from the NH 3 -promoted hydrolysis of NO 2 dimers in the atmosphere

Year: 2018

Type: article

Abstract: Significance As the primary source of “detergent” OH radicals, nitrous acid (HONO) plays an essential role in the chemistry of the atmosphere. Despite extensive studies, the source of HONO is still elusive. Although recent studies have shown the importance of reactive nitrogen compounds during aerosol formation, mechanistic insight into how these compounds react is still missing. Herein, based on Born–Oppenheimer molecular-dynamics simulations and free-energy sampling, we identified a formation mechanism for HONO via the NH 3 -promoted hydrolysis of NO 2 dimer (ONONO 2 ) on water clusters/droplets. The near-spontaneous formation of HONO at the water–air interface sheds light on the catalytic role of water droplets in atmospheric chemistry. This finding provides not only a missing HONO source but also insight into HONO chemistry.

Source: Proceedings of the National Academy of Sciences

DOI: 10.1073/pnas.1807719115

Authors: Lei Li, Zhiyao Duan, Hui Li, Chongqin Zhu, Graeme Henkelman, Joseph S. Francisco, Xiao Cheng Zeng

Institutions: University of Nebraska–Lincoln, The University of Texas at Austin, Beijing University of Chemical Technology

Language: English

Topic: Atmospheric chemistry and aerosols

Subfield: Atmospheric Science

Field: Earth and Planetary Sciences

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2809879769

FWCI: 4.793

Cites: 55

Cited by: 113

Related to: 10