Current state of aerosol nucleation parameterizations for air-quality and climate modeling

K Semeniuk, A Dastoor - Atmospheric Environment, 2018 - Elsevier
Aerosol nucleation parameterization models commonly used in 3-D air quality and climate
models have serious limitations. This includes classical nucleation theory based variants …

Configurational sampling of noncovalent (atmospheric) molecular clusters: sulfuric acid and guanidine

J Kubecka, V Besel, T Kurtén, N Myllys… - The Journal of …, 2019 - ACS Publications
We studied the configurational sampling of noncovalently bonded molecular clusters
relevant to the atmosphere. In this article, we discuss possible approaches to searching for …

ternary ion-mediated nucleation (TIMN): kinetic-based model and comparison with CLOUD measurements

F Yu, AB Nadykto, J Herb, G Luo… - Atmospheric …, 2018 - acp.copernicus.org
New particle formation (NPF) is known to be an important source of atmospheric particles
that impacts air quality, hydrological cycle, and climate. Although laboratory measurements …

Influence of atmospheric conditions on sulfuric acid-dimethylamine-ammonia-based new particle formation

H Li, A Ning, J Zhong, H Zhang, L Liu, Y Zhang… - Chemosphere, 2020 - Elsevier
A recent quantitative measurement of rates of new particle formation (NPF) in urban
Shanghai showed that the high rates of NPF can be largely attributed to the sulfuric acid …

The enhancement mechanism of glycolic acid on the formation of atmospheric sulfuric acid–ammonia molecular clusters

H Zhang, O Kupiainen-Määttä, X Zhang… - The Journal of …, 2017 - pubs.aip.org
Highly oxidized multifunctional organic molecules, which span a wide range of low
volatilities, are capable of driving particle formation as well as the initial growth of particles in …

A molecular-scale study on the role of lactic acid in new particle formation: Influence of relative humidity and temperature

H Li, O Kupiainen-Määttä, H Zhang, X Zhang… - Atmospheric …, 2017 - Elsevier
It is well established that oxidation products of volatile organic compounds (VOCs) play a
major role in atmospheric new-particle formation (NPF). However, the mechanism of their …

The potential role of malonic acid in the atmospheric sulfuric acid-ammonia clusters formation

H Zhang, H Li, L Liu, Y Zhang, X Zhang, Z Li - Chemosphere, 2018 - Elsevier
Malonic acid (MOA), one of the major dicarboxylic acids (DCAs) in aerosols, has been
identified experimentally and computationally to be a strong acid. However, its potential role …

Chemistry of new particle formation and growth events during wintertime in suburban area of Bei**g: Insights from highly polluted atmosphere

S Yang, Z Liu, PS Clusius, Y Liu, J Zou, Y Yang… - Atmospheric …, 2021 - Elsevier
The high frequency of new particle formation (NPF) events observed under polluted
atmospheric conditions is still poorly understood. To improve our understanding of NPF and …

Proton transfer in mixed clusters of methanesulfonic acid, methylamine, and oxalic acid: implications for atmospheric particle formation

J Xu, BJ Finlayson-Pitts, RB Gerber - The Journal of Physical …, 2017 - ACS Publications
Understanding the properties of atmospheric particles made of several components is a very
challenging problem. In this paper, we perform quantum chemical calculations for small …

Molecular-Scale Mechanism of Sequential Reaction of Oxalic Acid with SO3: Potential Participator in Atmospheric Aerosol Nucleation

Y Yang, L Liu, H Wang, X Zhang - The Journal of Physical …, 2021 - ACS Publications
Recent research has shown the almost barrierless cycloaddition reaction of the carboxylic
acid with one SO3 to form products with group of− OSO3H, which can form stable clusters …