ISORROPIA II: a computationally efficient thermodynamic equilibrium model for K^{+}-Ca^{2+}-Mg^{2+}-NH_{4}^{+}-Na^{+}-SO_{4}^{2-}-NO_{3}^{-}-Cl^{-}-H_{2}O aerosols

by C Fountoukis, A Nenes
Atmos. Chem. Phys. ()


This study presents ISORROPIA II, a thermodynamic equilibrium model\nfor the K^+�Ca^{2+}�Mg^{2+}�NH_4^+�Na^+�SO_4^2- �NO_3^-�Cl^-�H_2O\naerosol system. A comprehensive evaluation of its performance is\nconducted against water uptake measurements for laboratory aerosol\nand predictions of the SCAPE2 thermodynamic module over a wide range\nof atmospherically relevant conditions. The two models agree well,\nto within 13% for aerosol water content and total PM mass, 16%\nfor aerosol nitrate and 6% for aerosol chloride and ammonium. Largest\ndiscrepancies were found under conditions of low RH, primarily from\ndifferences in the treatment of water uptake and solid state composition.\nIn terms of computational speed, ISORROPIA II was more than an order\nof magnitude faster than SCAPE2, with robust and rapid convergence\nunder all conditions. The addition of crustal species does not slow\ndown the thermodynamic calculations (compared to the older ISORROPIA\ncode) because of optimizations in the activity coefficient calculation\nalgorithm. Based on its computational rigor and performance, ISORROPIA\nII appears to be a highly attractive alternative for use in large\nscale air quality and atmospheric transport models.

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