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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
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Volume 9, issue 2
Geosci. Model Dev., 9, 899–914, 2016
https://doi.org/10.5194/gmd-9-899-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
Geosci. Model Dev., 9, 899–914, 2016
https://doi.org/10.5194/gmd-9-899-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.

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 et al.
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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.
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In this paper we describe the development and application of a new web-based and open-source facility, UManSysProp (http://umansysprop .seaes.manchester.ac.uk), 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.
In this paper we describe the development and application of a new web-based and open-source...
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