文摘
A theoretical method for predicting the smoke point of pure hydrocarbon liquids is presented.The method is based on a structural group contributions approach and does not require anyexperimental procedures or information of fuel properties, other than the molecular structure ofthe fuel molecules. The proposed correlation is presented in the form of a multivariable regression.The average deviation is only 1.3 TSI (threshold soot index) units for ~70 compounds from low-sooting paraffins to highly sooting aromatics, and the average relative error is 9.08%. The resultsof three different sets of structural groups derived from the Quann and Joback group contributionmethods are tested and compared. For a mixture with a defined composition, the estimation ofsmoke point is also discussed. The method is of potential value for the formulation of surrogatefuels of hydrocarbon mixtures, where matching the fuel's sooting tendency is important.