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Article

Perturbed and Unperturbed: Analyzing the Conservatively Perturbed Equilibrium (Linear Case)

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McKelvey School of Engineering, Department of Energy, Environmental and Chemical Engineering, Washington University in St Louis, St. Louis, MO 63130, USA
2
Department of Electronics and Information Systems, Ghent University, Building S-8, Krijgslaan 281, B-9000 Ghent, Belgium
*
Author to whom correspondence should be addressed.
Entropy 2020, 22(10), 1160; https://doi.org/10.3390/e22101160
Received: 30 July 2020 / Revised: 21 September 2020 / Accepted: 12 October 2020 / Published: 15 October 2020
(This article belongs to the Special Issue Finite-Time Thermodynamics)
The “conservatively perturbed equilibrium” (CPE) technique for a complex chemical system is computationally analyzed in a batch reactor considering different linear mechanisms with three and four species. Contrary to traditional chemical relaxation procedures, in CPE experiments only some initial concentrations are modified; other conditions, including the total amount of chemical elements and temperature are kept unchanged. Generally, for “unperturbed” species with initial concentrations equal to their corresponding equilibrium concentrations, unavoidable extreme values are observed during relaxation to the equilibrium. If the unperturbed species is involved in one step only, this extremum is a momentary equilibrium of the step; if the unperturbed species is involved in more reactions, the extremum is not a momentary equilibrium. The acyclic mechanism with four species may exhibit two extrema and an inflection point, which corresponds to an extremum of the rate of the species change. These facts provide essential information about the detailed mechanism of the complex reaction. View Full-Text
Keywords: conservatively perturbed equilibrium; extreme value; momentary equilibrium conservatively perturbed equilibrium; extreme value; momentary equilibrium
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MDPI and ACS Style

Xi, Y.; Liu, X.; Constales, D.; Yablonsky, G.S. Perturbed and Unperturbed: Analyzing the Conservatively Perturbed Equilibrium (Linear Case). Entropy 2020, 22, 1160. https://doi.org/10.3390/e22101160

AMA Style

Xi Y, Liu X, Constales D, Yablonsky GS. Perturbed and Unperturbed: Analyzing the Conservatively Perturbed Equilibrium (Linear Case). Entropy. 2020; 22(10):1160. https://doi.org/10.3390/e22101160

Chicago/Turabian Style

Xi, Yiming, Xinquan Liu, Denis Constales, and Gregory S. Yablonsky 2020. "Perturbed and Unperturbed: Analyzing the Conservatively Perturbed Equilibrium (Linear Case)" Entropy 22, no. 10: 1160. https://doi.org/10.3390/e22101160

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