相关论文: Modeling Chemical Reactors I: Quiescent Reactors
Reaction rates of chemical reactions under nonequilibrium conditions can be determined through the construction of the normally hyperbolic invariant manifold (NHIM) [and moving dividing surface (DS)] associated with the transition state…
We set up a rigorous thermodynamic description of reaction-diffusion systems driven out of equilibrium by time-dependent space-distributed chemostats. Building on the assumption of local equilibrium, nonequilibrium thermodynamic potentials…
Embedding efficient command operation into biochemical system has always been a research focus in synthetic biology. One of the key problems is how to sequence the chemical reactions that act as units of computation. The answer is to design…
Several problems, issued from physics, biology or the medical science, lead to parabolic equations set in two sub-domains separated by a membrane with selective permeability to specific molecules. The corresponding boundary conditions,…
We consider delayed chemical reaction networks with generalized kinetics of product form and show that complex balancing implies that within each positive stoichiometric compatibility class there is a unique positive equilibrium that is…
We find evidence that a certain class of reaction-diffusion systems can exhibit chemical turbulence equivalent to Nikolaevskii turbulence. The distinctive characteristic of this type of turbulence is that it results from the interaction of…
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…
The quasi-steady-state approximation (QSSA) is a standard technique for reducing the complexity of chemical reaction networks (CRNs). The validity of any QSSA-based model is restricted to specific parameter regimes. Selecting the…
A reaction--diffusion replicator equation is studied. A novel method to apply the principle of global regulation is used to write down the model with explicit spatial structure. Properties of stationary solutions together with their…
The simulation of thermochemical nonequilibrium for the atomic and molecular energy level populations in plasma flows requires a comprehensive modeling of all the elementary collisional and radiative processes involved. Coupling detailed…
The trend to equilibrium for reaction-diffusion systems modelling chemical reaction networks is investigated, in the case when reaction processes happen on subsets of the domain. We prove the convergence to equilibrium by directly showing…
Chemical reactions often proceed through the formation and the consumption of intermediate species. An example is the creation and subsequent degradation of the substrate-enzyme complexes in an enzymatic reaction. In this paper we provide a…
We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…
Understanding the asymptotic behavior of reaction-diffusion (RD) systems is crucial for modeling processes ranging from species coexistence in ecology to biochemical interactions within cells. In this work, we analyze RD systems in which…
We consider numerical approximations and error analysis for the Cahn-Hilliard equation with reaction rate dependent dynamic boundary conditions (P. Knopf et. al., arXiv, 2020). Based on the stabilized linearly implicit approach, a…
The use of dissipation for the controlled creation of nontrivial quantum many-body correlated states is of much fundamental and practical interest. What is the result of imposing number conservation, which, in closed system, gives rise to…
In many biological situations, a species arriving from a remote source diffuses in a domain confined between two parallel surfaces until it finds a binding partner. Since such a geometric shape falls in between two- and three-dimensional…
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…
The global existence of classical solutions to reaction-diffusion systems in dimensions one and two is proved. The considered systems are assumed to satisfy an {\it entropy inequality} and have nonlinearities with at most cubic growth in 1D…
We propose a time-adaptive predictor/multi-corrector method to solve hyperbolic partial differential equations, based on the generalized-$\alpha$ scheme that provides user-control on the numerical dissipation and second-order accuracy in…