Flash Point Calculation
|This software calculates flash points of flammable liquid mixtures by the UNIFAC based methods “original UNIFAC” and “modified UNIFAC (Dortmund)”. Both methods are delivered with the latest published parameters.
The algorithm to calculate the flash points is described in a scientific paper from 1982 (Gmehling J., Rasmussen P., "Flash Points of Flammable Liquid Mixtures Using UNIFAC.", Ind.Eng.Chem. Fundam., 21(2), 186-188, 1982).
The basic procedure is that from known pure component properties (flash point and heat of combustion) the real behavior of the mixture is estimated by the activity coefficients which are obtained from the predictive group contribution models orig. UNIFAC and modified UNIFAC. Additionally needed parameters are Antoine coefficients for the calculation of the saturated vapor pressures of pure components.
The software comes with
- flash point temperatures for 210 components
- heats of combustion for 409 components
- flash point temperatures and heats of combustion for 146 components (both needed values are available)
- Antoine coefficients for approx. 4400 components
- orig. UNIFAC group assignments for approx. 12000 components
- mod. UNIFAC (Dortmund) group assignments for approx. 10900 components
The manual of the current version is available for download.
Please take also a look at the flash point data stored in the Dortmund Data Bank.