Group-contribution predictions of Yield Sooting Index (YSI)
This tool predicts the Yield Sooting Index of a compound as a function of its carbon types. To use, enter a SMILES string above (or use the drawing tool) and press submit. Experimental measurements, when available, are also displayed.
For more info, see our publication:
Das, D. D., St. John, P. C., McEnally, C. S., Kim, S., & Pfefferle, L. D. (2018). Measuring and predicting sooting tendencies of oxygenates, alkanes, alkenes, cycloalkanes, and aromatics on a unified scale. Combustion and Flame, 190, 349–364. 10.1016/j.combustflame.2017.12.005
Website by Peter St. John, Michael Bartlett, and Seonah Kim