Journal cover Journal topic
Atmospheric Chemistry and Physics An interactive open-access journal of the European Geosciences Union
Atmos. Chem. Phys., 11, 8385-8394, 2011
© Author(s) 2011. This work is distributed
under the Creative Commons Attribution 3.0 License.
Research article
17 Aug 2011
Estimating fusion properties for functionalised acids
S. Compernolle, K. Ceulemans, and J.-F. Müller
Belgian Institute for Space-aeronomy, Ringlaan 3, 1180 Brussels, Belgium

Abstract. Multicomponent organic aerosol (OA) is likely to be liquid, or partially liquid. Hence, to describe the partitioning of these components, their liquid vapour pressure is desired. Functionalised acids (e.g. diacids) can be a significant part of OA. But often measurements are available only for solid state vapour pressure, which can differ by orders of magnitude from their liquid counterparts. To convert such a sublimation pressure to a subcooled liquid vapour pressure, fusion properties (two out of these three quantities: fusion enthalpy, fusion entropy, fusion temperature) are required. Unfortunately, experimental knowledge of fusion properties is sometimes missing in part or completely, hence an estimation method is required. Several fusion data estimation methods are tested here against experimental data of functionalised acids, and a simple estimation method is developed, specifically for this family of compounds, with a significantly smaller estimation error than the literature methods.

Citation: Compernolle, S., Ceulemans, K., and Müller, J.-F.: Estimating fusion properties for functionalised acids, Atmos. Chem. Phys., 11, 8385-8394, doi:10.5194/acp-11-8385-2011, 2011.
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