Estimating fusion properties for functionalised acids

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Authors
Compernolle, S.
Ceulemans, K.
Muller, J.-F.
Discipline
Physical sciences
Subject
aerosol property
enthalpy
entropy
error analysis
organic acid
partitioning
sublimation
vapor pressure
Audience
Scientific
Date
2011Metadata
Show full item recordDescription
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.; Muller, J.-F. (2011). Estimating fusion properties for functionalised acids. , Atmospheric Chemistry and Physics, Vol. 11, Issue 16, 8385-8394, DOI: 10.5194/acp-11-8385-2011.Identifiers
scopus: 2-s2.0-80051736224
Type
Article
Peer-Review
Yes
Language
eng