Alpha-pinene and Toluene SOA System data used in Amaladhasan et al for 2D lumping

This dataset contains box model concentrations of oxidants, SMILES notations, vapor pressure data, and various polarity metrics for alpha-pinene and toluene SOA systems. The data is organized into subfolders for each polarity metric and system, with further subfolders for intermediate outputs from surrogate selection methods, custom grid plots, and SOA predictions from AIOMFAC gas-particle partitioning at various grid resolutions for each of the surrogate selection methods. The dataset includes results for medoid, midpoint, mass-weighted medoid, and k-means clustering that are the surrogate selection methods with grid resolutions of 4x2, 6x3, 8x4, and 10x5. This comprehensive dataset supports the analysis of surrogate selection methods and grid resolutions for accurate representation of complex Secondary Organic Aerosol (SOA) systems in atmospheric chemistry models. These data were the basis of the analysis presented by Amaladhasan et al.