Technical Report 190, c4e-Preprint Series, Cambridge

Authors: Radomir I. Slavchov, Sebastian Mosbach, and Markus Kraft

Reference: Technical Report 190, c4e-Preprint Series, Cambridge, 2017

Associated Themes:
 

• A model of vapour-liquid 1-component equilibrium with vapour dimerization.
• Predicts analytically vapour pressure, vaporization heat and dimer fraction vs. T.
• No fitting - input is 6 standard handbook thermodynamic parameters only.
• Reversely, accurate thermodynamic parameters obtained from vapour pressure data.
• High precision for fuel components under cylinder conditions.

A model of the temperature dependence of the vapour pressure and the heat of vaporization of associated liquids with dimerizing vapours is presented. The result is a simple analytic generalization of the Clapeyron equation, valid with accuracy of 0.1-0.5%, as demonstrated with 8 liquids: formic and acetic acids, methanol, ethanol, water, toluene, heptane and isooctane. It involves only standard handbook parameters: the room temperature vaporization heat and vapour pressure, heat capacities, 2nd virial coefficient, heat of dissociation of the dimers in the gas phase.

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