Industrial & Engineering Chemistry Research
Industrial & Engineering Chemistry Research
5 years ago

Artificial Neural Network Based Group Contribution Method for Estimating Cetane and Octane Numbers of Hydrocarbons and Oxygenated Organic Compounds

Artificial Neural Network Based Group Contribution Method for Estimating Cetane and Octane Numbers of Hydrocarbons and Oxygenated Organic Compounds
Andrew D. Sutton, Cameron M. Moore, Rhodri W. Jenkins, Troy A. Semelsberger, William L. Kubic
Chemical pathways for converting biomass into fuels produce compounds for which key physical and chemical property data are unavailable. We developed an artificial neural network based group contribution method for estimating cetane and octane numbers that captures the complex dependence of fuel properties of pure compounds on chemical structure and is statistically superior to current methods.

Publisher URL: http://dx.doi.org/10.1021/acs.iecr.7b02753

DOI: 10.1021/acs.iecr.7b02753

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