Technical Note: Estimating fusion properties for polyacids

Abstract

Organic aerosol (OA) components are generally assumed to be liquid-like.Hence, to describe the partitioning of these components, the liquidvapor pressure of these components is desired. Polyacids and functionalizedpolyacids can be a significant part of OA. But often, measurementsare available only for solid state vapor pressure, which can differby orders of magnitude from their liquid counterparts. To convertsuch a sublimation pressure to a subcooled liquid vapor 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 missingin part or totally, hence an estimation method is required. Severalfusion data estimation methods are tested here against experimentaldata of polyacids. Next, we develop a simple estimation method, specificallyfor this kind of compounds, reducing significantly the estimationerror.