Related papers: Determination of output composition in reaction-ad…
Open chemical reaction systems involve matter-exchange with the surroundings. As a result, species can accumulate inside a system during the course of the reaction. We study the role of network topology in governing the concentration…
Investigating a reactive chemical system with automated reaction network exploration algorithms provides a more detailed picture of its chemical mechanism than what would be accessible by manual investigation. In general, exploration…
Let $G$ be a finite group generated by $k$ elements. The well-known product replacement algorithm provides an effective method for sampling generating sets of $G$. We study a refinement of this algorithm that is designed to output…
It is the purpose of this work to develop new approach for chemical compositional reservoir simulation, which may be regarded as a sequential method. The development process can be roughly divided into the following two stages: (1)…
Treating diffusion and advection/reaction separately is an effective strategy for solving semilinear advection-diffusion-reaction equations. However, such an approach is prone to suffer from order reduction, especially in the presence of…
Inspired by decomposition problems in rule-based formalisms in Computational Systems Biology and recent work on compositionality in graph transformation, this paper proposes to use arbitrary colimits to "deconstruct" models of reactions in…
Methods are presented to evaluate the entropy production rate in stochastic reactive systems. These methods are shown to be consistent with known results from nonequilibrium chemical thermodynamics. Moreover, it is proved that the time…
Autocatalytic chemical reaction networks can collectively replicate or maintain their constituents despite degradation reactions only above a certain threshold, which we refer to as the decay threshold. When the chemical network has a…
This paper investigates the output feedback setpoint regulation control of a reaction-diffusion equation by means of boundary control. The considered reaction-diffusion plant may be open-loop unstable. The proposed control strategy consists…
We consider linear reaction--diffusion problems with mixed Diriclet-Neumann-Robin conditions. The diffusion matrix, reaction coefficient, and the coefficient in the Robin boundary condition are defined with an uncertainty which allow…
A method for integrating the chemical equations associated with nuclear combustion at high temperature is presented and extensively checked. Following the idea of E. M\"uller, the feedback between nuclear rates and temperature was taken…
When exposed to a thermal gradient, reaction networks can convert thermal energy into the chemical selection of states that would be unfavourable at equilibrium. The kinetics of reaction paths, and thus how fast they dissipate available…
We consider a reaction-diffusion system for two densities lying in adjacent domains of $\mathbb{R}^N$. We treat two configurations: either a cylinder and its complement, or two half-spaces. Diffusion and reaction heterogeneities for the two…
In this review paper we present a detailed account of the extraction and the calculation of the total reaction cross section of strongly bound and weakly bound, stable and unstable, exotic, nuclei. We discuss the optical model and the more…
We present a finite-element approach for computing the aggregate scattering matrix of a network of linear coherent scatterers. These might be optical scatterers or more general scattering coins studied in quantum walk theory. While…
This article introduces a numerical algorithm that serves as a preliminary step toward solving continuous-time model predictive control (MPC) problems directly without explicit time-discretization. The chief ingredients of the underlying…
In this paper, we present decomposition techniques for solving large-scale instances of the security-constrained optimal power flow (SCOPF) problem with primary response. Specifically, under each contingency state, we require that the nodal…
We investigate limit models resulting from a dimensional analysis of quite general heterogeneous catalysis models with fast sorption (i.e.\ exchange of mass between the bulk phase and the catalytic surface of a reactor) and fast surface…
A reaction system exhibits "absolute concentration robustness" (ACR) in some species if the positive steady-state value of that species does not depend on initial conditions. Mathematically, this means that the positive part of the variety…
The collective motion of a finite nuclear system is investigated by numerical simulation and by linear response theory. Using a pseudo-particle simulation technique we analyze the giant resonances with a multipole decomposition scheme. We…