Articles | Volume 17, issue 6
https://doi.org/10.5194/gmd-17-2197-2024
https://doi.org/10.5194/gmd-17-2197-2024
Development and technical paper
 | 
19 Mar 2024
Development and technical paper |  | 19 Mar 2024

HETerogeneous vectorized or Parallel (HETPv1.0): an updated inorganic heterogeneous chemistry solver for the metastable-state NH4+–Na+–Ca2+–K+–Mg2+–SO42−–NO3–Cl–H2O system based on ISORROPIA II

Stefan J. Miller, Paul A. Makar, and Colin J. Lee

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Cited articles

Amundson, N. R., Caboussat, A., He, J. W., Martynenko, A. V., Savarin, V. B., Seinfeld, J. H., and Yoo, K. Y.: A new inorganic atmospheric aerosol phase equilibrium model (UHAERO), Atmos. Chem. Phys., 6, 975–992, https://doi.org/10.5194/acp-6-975-2006, 2006. 
Anlauf, K., Li, S.-M., Leaitch, R., Brook, J., Hayden, K., Toom–Sauntry, D., and Wiebe, A.: Ionic composition and size characteristics of particles in the lower fraser valley: Pacific 2001 field study, Atmos. Environ., 40, 2662–2675, https://doi.org/10.1016/j.atmosenv.2005.12.027, 2006. 
Ansari, A. S. and Pandis, S. N.: Prediction of multicomponent inorganic atmospheric aerosol behavior, Atmos. Environ., 33, 745–757, https://doi.org/10.1016/s1352-2310(98)00221-0, 1999a. 
Ansari, A. S. and Pandis, S. N.: An analysis of four models predicting the partitioning of semivolatile inorganic aerosol components, Aerosol Sci. Technol., 31, 129–153, https://doi.org/10.1080/027868299304200, 1999b. 
Atkinson, R. W., Mills, I. C., Walton, H. A., and Anderson, H. R.: Fine particle components and health – a systematic review and meta-analysis of epidemiological time series studies of Daily Mortality and hospital admissions, J. Expo. Sci. Env. Epid., 25, 208–214, https://doi.org/10.1038/jes.2014.63, 2014. 
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Short summary
This work outlines a new solver written in Fortran to calculate the partitioning of metastable aerosols at thermodynamic equilibrium based on the forward algorithms of ISORROPIA II. The new code includes numerical improvements that decrease the computational speed (compared to ISORROPIA II) while improving the accuracy of the partitioning solution.