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Register a new userChemical reaction-diffusion networks; convergence of the method of lines
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We show that solutions of the chemical reaction-diffusion system associated to $A+Brightleftharpoons C$ in one spatial dimension can be approximated in $L^2$ on any finite time interval by solutions of a space discretized ODE system which models the corresponding chemical reaction system replicated in the discretization subdomains where the concentrations are assumed spatially constant. Same-species reactions through the virtual boundaries of adjacent subdomains lead to diffusion in the vanishing limit. We show convergence of our numerical scheme by way of a consistency estimate, with features generalizable to reaction networks other than the one considered here, and to multiple space dimensions. In particular, the connection with the class of complex-balanced systems is briefly discussed here, and will be considered in future work.
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A study is presented on the convergence of the computation of coupled advection-diffusion-reaction equations. In the computation, the equations with different coefficients and even types are assigned in two subdomains, and Schwarz iteration is made between the equations when marching from a time level to the next one. The analysis starts with the linear systems resulting from the full discretization of the equations by explicit schemes. Conditions for convergence are derived, and its speedup and the effects of difference in the equations are discussed. Then, it proceeds to an implicit scheme, and a recursive expression for convergence speed is derived. An optimal interface condition for the Schwarz iteration is obtained, and it leads to perfect convergence, that is, convergence within two times of iteration. Furthermore, the methods and analyses are extended to the coupling of the viscous Burgers equations. Numerical experiments indicate that the conclusions, such as the perfect convergence, drawn in the linear situations may remain in the Burgers equations computation.
In this paper, the applicability of the entropy method for the trend towards equilibrium for reaction-diffusion systems arising from first order chemical reaction networks is studied. In particular, we present a suitable entropy structure for weakly reversible reaction networks without detail balance condition. We show by deriving an entropy-entropy dissipation estimate that for any weakly reversible network each solution trajectory converges exponentially fast to the unique positive equilibrium with computable rates. This convergence is shown to be true even in cases when the diffusion coefficients all but one species are zero. For non-weakly reversible networks consisting of source, transmission and target components, it is shown that species belonging to a source or transmission component decay to zero exponentially fast while species belonging to a target component converge to the corresponding positive equilibria, which are determined by the dynamics of the target component and the mass injected from other components. The results of this work, in some sense, complete the picture of trend to equilibrium for first order chemical reaction networks.
The convergence to equilibrium for renormalised solutions to nonlinear reaction-diffusion systems is studied. The considered reaction-diffusion systems arise from chemical reaction networks with mass action kinetics and satisfy the complex balanced condition. By applying the so-called entropy method, we show that if the system does not have boundary equilibria, then any renormalised solution converges exponentially to the complex balanced equilibrium with a rate, which can be computed explicitly up to a finite dimensional inequality. This inequality is proven via a contradiction argument and thus not explicitly. An explicit method of proof, however, is provided for a specific application modelling a reversible enzyme reaction by exploiting the specific structure of the conservation laws. Our approach is also useful to study the trend to equilibrium for systems possessing boundary equilibria. More precisely, to show the convergence to equilibrium for systems with boundary equilibria, we establish a sufficient condition in terms of a modified finite dimensional inequality along trajectories of the system. By assuming this condition, which roughly means that the system produces too much entropy to stay close to a boundary equilibrium for infinite time, the entropy method shows exponential convergence to equilibrium for renormalised solutions to complex balanced systems with boundary equilibria.
The convergence of the so-called quadratic method for computing eigenvalue enclosures of general self-adjoint operators is examined. Explicit asymptotic bounds for convergence to isolated eigenvalues are found. These bounds turn out to improve significantly upon those determined in previous investigations. The theory is illustrated by means of several numerical experiments performed on particularly simple benchmark models of one-dimensional Schru007fodinger operators.
Regula Falsi, or the method of false position, is a numerical method for finding an approximate solution to f(x) = 0 on a finite interval [a, b], where f is a real-valued continuous function on [a, b] and satisfies f(a)f(b) < 0. Previous studies proved the convergence of this method under certain assumptions about the function f, such as both the first and second derivatives of f do not change the sign on the interval [a, b]. In this paper, we remove those assumptions and prove the convergence of the method for all continuous functions.
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