METHOD FOR PREDICTING CHEMICAL OR PHYSICAL PROPERTIES OF COMPLEX MIXTURES

A method for predicting the propreties 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 presen...

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Bibliographic Details
Main Authors KELLY, JEFFREY D, PHO, RONALD T, LAU, TIAN CHONG, ASHE, TERRENCE R
Format Patent
LanguageEnglish
French
Published 09.01.1997
Edition6
Subjects
INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES
MEASURING
PHYSICS
TESTING
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Summary:A method for predicting the propreties 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.
Bibliography:Application Number: CA19962225363