Determination of chemical exergy for compounds of biotechnological interest using different estimation methodologies
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ORIGINAL PAPER
Determination of chemical exergy for compounds of biotechnological interest using different estimation methodologies Suzimara R. Silva1 · Túlio F. Anacleto1 · Esly F. Costa Jr1 · Boutros Sarrouh2 · Andréa O. S. Costa1 Received: 12 December 2019 / Revised: 31 March 2020 / Accepted: 16 May 2020 © Associação Brasileira de Engenharia Química 2020
Abstract Different methods of chemical exergy estimation for several organic compounds have been proposed in literature, mainly for those related to the petrochemical and energy industry. However, there is a lack of specific models for the estimation of different biomolecules chemical exergy. The present work aimed to evaluate the performance of two specific chemical exergy estimation methodologies for 42 compounds of biotechnological interest. The methodologies employed were the group contribution method (GC) and semi-empirical correlation. In addition, a methodology for the specific chemical exergy calculation of protein based on empirical information on the amino acid content was proposed. According to the results obtained by the methodologies studied, it was observed that the predicted chemical exergy values of the biomolecules considered were similar to the literature data, presenting an adjustment of R2 > 0.98. The property estimation GC-based method provided better statistical performance, with average absolute error and average relative error of 0.56 MJ kg−1 and 4.21%, respectively. Keywords Biotechnological compounds · Property estimation · Chemical exergy
Introduction In the field of biotechnology, thermodynamics has been shown to be an attractive tool, being applied, for example, in the study of enzymolysis, thermophysical properties of biochemical molecules, phase equilibria of biofluids, metabolism of living cells and energetic efficiency of bioengineering processes (Stockar 2013; Ptasinski 2016; Wu et al. 2018; Silva et al. 2019). In this context, the exergetic analysis technique is considered an effective approach to evaluate the performance of different biotechnological processes, which include ethanol production (Ofori-boateng and Lee 2014; Aghbashlo et al. 2016c; Dadak et al. 2016), biodiesel (Velásquez et al. 2013; Aghbashlo et al. 2019b), biohydrogen (Hosseini et al. 2015; Aghbashlo et al. 2016a, b; Hosseinpour et al. 2017), microalgae lipids (Küçük et al. * Suzimara R. Silva [email protected] 1
Departamento de Engenharia Química, Universidade Federal de Minas Gerais, Belo Horizonte, Minas Gerais 31270‑901, Brazil
Departamento de Química, Biotecnologia e Engenharia de Bioprocessos, Universidade Federal de São João del-Rei, Ouro Branco, Minas Gerais 36420‑000, Brazil
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2015) and antigens (Değerli et al. 2015a). One of the main challenges is to calculate the chemical exergy of the compounds involved in these processes. As there are still a limited number of thermodynamic data for organic compounds available in the literature, it is of great interest to use reliable methods for property estimation if experimental meas
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