Conditions for Solvability in Chemical Reaction Networks at Quasi-Steady-State
Ophelia Adams

TL;DR
This paper investigates the conditions under which the quasi-steady-state assumption (QSSA) can be mathematically justified in chemical reaction networks, focusing on polynomial solvability and finite steady states.
Contribution
It proves that solvability by radicals is guaranteed for a class of common chemical reaction networks, explaining why QSSA often succeeds in practice.
Findings
Solvability is guaranteed for certain classes of reaction networks.
QSSA reduction is always successful in practical cases.
Minimal nonsolvable example is demonstrated.
Abstract
The quasi-steady-state assumption (QSSA) is an approximation that is widely used in chemistry and chemical engineering to simplify reaction mechanisms. The key step in the method requires a solution by radicals of a system of multivariate polynomials. However, Pantea, Gupta, Rawlings, and Craciun showed that there exist mechanisms for which the associated polynomials are not solvable by radicals, and hence reduction by QSSA is not possible. In practice, however, reduction by QSSA always succeeds. To provide some explanation for this phenomenon, we prove that solvability is guaranteed for a class of common chemical reaction networks. In the course of establishing this result, we examine the question of when it is possible to ensure that there are finitely many (quasi) steady states. We also apply our results to several examples, in particular demonstrating the minimality of the…
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Taxonomy
TopicsProcess Optimization and Integration · Computational Drug Discovery Methods · Gene Regulatory Network Analysis
