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Abstract
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ABSTRACT
Chemical exergy values of pure organic compounds are required in order
to perform an exergy analysis to achieve the optimum conditions. Development
of reliable predictive tools for standard molar chemical exergy estimation,
is of great importance. A least squares support vector machine (LSSVM)
based group contribution (GC) method is proposed for standard molar chemical
exergy prediction of pure organic compounds. The proposed model is
trained and evaluated based on a comprehensive data base comprising standard
molar chemical exergy for 133 organic compounds. 47 chemical substructures
are employed in the process of model development. The proposed model
is evaluated using different graphical and statistical error analysis. Determination
coefficient (R2) and average absolute relative deviation (AARD%) values of
1.00 and 0.56% indicate the applicability potential and reliability of the predictions
from the proposed model.
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