Modeling secondary organic from β-caryophyllene: role of extremely low-volatile organic compounds on new particle formation and evaluation of the SOA composition

1. Dataset Description

This dataset contains the basic set of input files required to reproduce the 298K experiment from the study by Gao et al. (2022) on secondary organic aerosol (SOA) formation using the autoX-MCM mechanism. These files are configured to run with the SSH-aerosol v2.0 model. 

**SSH-aerosol v2.0 model**: The core model can be obtained from: https://github.com/sshaerosol/ssh-aerosol

2. Dataset Contents and File Structure

The repository is organized as follows:

2.1 'autoX-MCM/' Directory

This directory contains the necessary files for generating and running the **autoX-MCM** mechanism at 298K.

- BCARY.reaction_298: Contains the detailed list of chemical reactions.

- BCARY.species: Contains all chemical species involved in the mechanism.

- BCARY.RO2: Contains all the peroxy radical (RO2) species involved in the mechanism

2.2 'mMCM/' Directory

This directory contains the necessary files for generating and running the **mMCM** mechanism at 298K, including BCARY.reaction_298, BCARY.species, and BCARY.RO2. 

2.3 'inputs/' Directory

This directory provides the initial conditions and physicochemical characteristics of the aerosols required for the model run.

2.4 '298K.ssh' (root directory)

The main **configuration file**, which defines the simulation settings, environmental parameters, and paths to other input files.

Attention

The experiemental data used for model evaluation are available from the corresponding  authors of Gao et al. (2022) upon reasonable request.