Uniqueness of feasible equilibria for mass action law (MAL) kinetic systems. (December 2016)

• Record Type: Journal Article
• Authors: Alonso, Antonio A.; Szederkényi, Gábor
• Is Part Of: Journal of process control. Volume 48(2016:Dec.)
• Page Start: 41
• Page End: 71
• Publication Date: 2016-12
• Subjects: Chemical reaction networks -- Kinetic systems -- Mass action law -- Network deficiency -- Feasible equilibrium -- Complex balanced equilibrium; Process control -- Periodicals; Fabrication -- Contrôle -- Périodiques; Process control; Periodicals; Electronic journals; 660.281
• DOI: 10.1016/j.jprocont.2016.10.002
• Languages: English
• ISSNs: 0959-1524

Abstract

Abstract : Highlights: A canonical representation of the set of feasible equilibria is proposed. Links between network structure and properties of equilibrium are established. Monotonicity of given functions is exploited to study complex balanced equilibria. Monotonicity allows connections to be established with deficiency one theorem. Abstract: This paper studies the relations among system parameters, uniqueness, and stability of equilibria, for kinetic systems given in the form of polynomial ODEs. Such models are commonly used to describe the dynamics of nonnegative systems, with a wide range of application fields such as chemistry, systems biology, process modeling or even transportation systems. Using a flux-based description of kinetic models, a canonical representation of the set of all possible feasible equilibria is developed. The characterization is made in terms of strictly stable compartmental matrices to define the so-called family of solutions. Feasibility is imposed by a set of constraints, which are linear on a log-transformed space of complexes, and relate to the kernel of a matrix, the columns of which span the stoichiometric subspace. One particularly interesting representation of these constraints can be expressed in terms of a class of monotonous decreasing functions. This allows connections to be established with classical results in CRNT that relate to the existence and uniqueness of equilibria along positive stoichiometric compatibility classes. In particular, monotonicity can be employed to identify regions in the set of possible reaction rate coefficients leading to complex balancing, and to conclude uniqueness of equilibria for a class of positive deficiency networks. The latter result might support constructing an alternative proof of the well-known deficiency one theorem. The developed notions and results are illustrated through examples.