Paper Info
Title
Perturbed And Unperturbed: Analyzing The Conservatively Perturbed Equilibrium (Linear Case)
Abstract
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.
Year
DOI
Venue
2020
10.3390/e22101160
ENTROPY
Keywords
DocType
Volume
conservatively perturbed equilibrium, extreme value, momentary equilibrium
Journal
22
Issue
ISSN
Citations 
10
1099-4300
0
PageRank 
References 
Authors
0.34
0
4
Name
Order
Citations
PageRank
Yiming Xi100.34
Xinquan Liu200.34
Denis Constales334.16
G. S. Yablonsky402.37