Articles | Volume 9, issue 2
Model description paper
01 Mar 2016
Model description paper |  | 01 Mar 2016

UManSysProp v1.0: an online and open-source facility for molecular property prediction and atmospheric aerosol calculations

David Topping, Mark Barley, Michael K. Bane, Nicholas Higham, Bernard Aumont, Nicholas Dingle, and Gordon McFiggans

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Cited articles

Aumont, B., Szopa, S., and Madronich, S.: Modelling the evolution of organic carbon during its gas-phase tropospheric oxidation: development of an explicit model based on a self generating approach, Atmos. Chem. Phys., 5, 2497–2517,, 2005.
Barley, M., Topping, D. O., Jenkin, M. E., and McFiggans, G.: Sensitivities of the absorptive partitioning model of secondary organic aerosol formation to the inclusion of water, Atmos. Chem. Phys., 9, 2919–2932,, 2009.
Barley, M. H., Topping, D., Lowe, D., Utembe, S., and McFiggans, G.: The sensitivity of secondary organic aerosol (SOA) component partitioning to the predictions of component properties – Part 3: Investigation of condensed compounds generated by a near-explicit model of VOC oxidation, Atmos. Chem. Phys., 11, 13145–13159,, 2011.
Barley, M. H., Topping, D. O., and McFiggans, G.: Critical Assessment of Liquid Density Estimation Methods for Multifunctional Organic Compounds and Their Use in Atmospheric Science, J. Phys. Chem. A, 117, 3428–3441, 2013.
Bas, G. L.: The Molecular Volume of Liquid Chemical Compounds, Longmans, New York, NY, USA, 1915.
Short summary
In this paper we describe the development and application of a new web-based and open-source facility, UManSysProp (http://umansysprop, for automating predictions of molecular and atmospheric aerosol properties. Current facilities include pure component vapour pressures, critical properties, and sub-cooled densities of organic molecules; activity coefficient predictions for mixed inorganic-organic liquid systems; hygroscopic growth factors and CCN activation potential.