DOI: 10.5281/zenodo.6370140
title: Simulation data on the growth of atmospheric molecular clusters and particles

description: This data set contains output data from cluster population simulations performed with Atmospheric Cluster Dynamics Code (ACDC) model, which simulates the formation of clusters from atmospheric vapors and the growth of these clusters by further molecular and cluster-cluster collisions. The data can be used for investigating the formation and growth of atmospheric particles from inorganic and organic vapors. The data is output of a computational process model, and hence does not represent a specific time period or location. Simulation sets are calculated for a one or two-component system containing a quasi-unary inorganic compound representing a mixture of sulfuric acid and ammonia (SA) and/or oxidized organic vapors corresponding to a low volatility organic compound (LVOC) and an extremely-low volatility organic compound (ELVOC). The external conditions in the simulations correspond to those in the CLOUD (Cosmics Leaving Outdoor Droplets) chamber at temperature of 5 C°. Data are provided for 14 simulations. <strong>References</strong> Kontkanen J, Stolzenburg D, Olenius T, Yan C, Dada L, Ahonen L, Simon M, Lehtipalo K, Riipinen I (2022) What controls the observed size-dependency of the growth rates of sub-10 nm atmospheric particles?. Environ. sci. Atmos. https://doi:10.1039/d1ea00103e Olenius T, Riipinen I (2017) Molecular-resolution simulations of new particle formation: Evaluation of common assumptions made in describing nucleation in aerosol dynamics models. Aerosol Sci. Tech. 51:397⁠ – ⁠408. https://doi.org/10.1080/02786826.2016.1262530 Olenius T, Atmospheric Cluster Dynamics Code. https://github.com/tolenius/ACDC McGrath MJ et al. (2012) Atmospheric Cluster Dynamics Code: a flexible method for solution of the birth-death equations. Atmos. Chem. Phys. 12:2345⁠ – ⁠2355. https://doi.org/10.5194/acp-12-2345-2012 <strong>Data description</strong> The data is in the form of text files. The provided data files (total compressed size ~10GB) correspond to simulation output from the ACDC model. Simulation sets are shown in the table below and further described in Kontkanen et al. (2022). For the interpretation of the model output, the interested user is referred to the manual of ACDC model (https://github.com/tolenius/ACDC). Simulation set Model compounds Vapor concentrations (cm<sup>-3</sup>) Method to retrieve evaporation rates 1 SA <em>C</em><sub>SA </sub>= 8.0*10<sup>6</sup>, 2.0*10<sup>7</sup>, 4.7*10<sup>7</sup>, 1.1*10<sup>8</sup> Kelvin eq.<br> <em>(classical evaporation rates)</em> 2 SA <em>C</em><sub>SA </sub>= 2.0*10<sup>7</sup>, 4.7*10<sup>7</sup>, 1.1*10<sup>8</sup> QC data and Kelvin eq.<br> <em>(non-classical evaporation rates)</em> 3 LVOC <em>C</em><sub>LVOC </sub>= 5.0*10<sup>7</sup>, 1*10<sup>8</sup> Kelvin eq.<br> <em>(classical evaporation rates)</em> 4 LVOC,<br> ELVOC <em>C</em><sub>LVOC </sub>= 5.0*10<sup>7</sup>, 1*10<sup>8</sup><br> <em>C</em><sub>ELVOC </sub>= 1.0 *10<sup>7</sup> Kelvin eq.<br> <em>(classical evaporation rates)</em> 5 LVOC,<br> SA <em>C</em><sub>LVOC </sub>= 2.0*10<sup>7</sup>, 5.0*10<sup>7</sup>, 1*10<sup>8</sup><br> <em>C</em><sub>SA </sub>= 8.0*10<sup>6</sup> Kelvin eq.<br> <em>(classical evaporation rates)</em>