Exxon Research and Engineering Company

Tian C Lau

Terrence Rodney Ashe

Robert J Falkiner

Jeffrey Dean Kelly

Ronald T-k Pho

A Method for predicting the properties of a complex hydrocarbon mixture which comprises selecting one or more known chemical, perceptual, physical or performance properties of the complex mixture and creating a training set from reference samples which contain characteristic molecular species present in the mixture. The reference samples are subjected to GC/MS analysis wherein the often collinear data generated are treated by multivariate correlation methods. The training set produces coefficients which are multiplied by the matrix generated from a GC/MS analysis of an unknown mixture to produce a predicted value for the chemical, performance or physical property or groups of properties selected.

Method for predicting chemical or physical properties of complex mixtures

A method for controlling the blending of blend stocks having boiling points less that 350.degree. C. into blend products or controlling refinery or chemical processes with feedstocks and products with boiling points less than 350.degree. C. The method comprises selecting one or more chemical or perceptual or physical property or performance properties of the blend stock or blend product or refinery or chemical feed or product, creating a training set from reference samples which contain characteristic molecular species present in the blend stock or blend product or refinery or chemical process feed or product. The reference samples are subject to GC/MS analysis wherein the often collinear data generated is treated by multivariate correlation methods. The training set produces coefficients which are multiplied by the matrix generated from a GC/MS analysis of an unknown blend stock or blend product or refinery or chemical process feed or product to produce a predicted value for the chemical, performance, perceptual or physical property or groups of properties selected.

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Scarborough, Canada

Tian C Lau