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Specific chemical exergy prediction for biological molecules using hybrid models

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Abstract In this study, hybrid models for specific chemical exergy prediction were proposed for pure organic compounds. The models were designed from the relation between the compounds standard molar chemical… Click to show full abstract

Abstract In this study, hybrid models for specific chemical exergy prediction were proposed for pure organic compounds. The models were designed from the relation between the compounds standard molar chemical exergy and the reaction Gibbs energy and employing a dataset consisting in 178 pure organic compounds. The model performance was compared to available chemical exergy data from literature. Results indicate that chemical exergy for solid and liquid compounds can be estimated by a unified model with a correlation coefficient and average relative error of 99.41% and 2.30% respectively. Moreover, the model applicability was also evaluated for biological macromolecules chemical exergy estimation, comparing predicted values with those commonly used in biotechnological processes exergetic analysis. The obtained results shows that it is possible the use of a hybrid model to describe pure biomolecules and macromolecules chemical exergy.

Keywords: hybrid models; exergy prediction; exergy; chemical exergy; specific chemical

Journal Title: Chemical Engineering Science
Year Published: 2021

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