Homogenization of long-range auxin transport in plant tissues

A model for the cell-to-cell transport of the plant hormone auxin is presented. Auxin is a weak acid which dissociates into ions in the aqueous cell compartments. A microscopic model is defined by diffusion-reaction equations and a Poisson equation for a given charge distribution. The microscopic properties of the plant cell were taken into account through oscillating coefficients in the model. Via formal asymptotic expansion a macroscopic model was obtained. The effective diffusion coefficients and transport velocities are expressed by the solution of unit cell problems. Published experimental values of diffusivity and permeability were used to determine numerically the effective transport coefficients and the calculated transport velocity was shown to be of the same order as measured values.     

脑内各向异性扩散传质与吸附反应过程数值分析

对脑组织内传质过程的机理及其影响因素进行了分析,建立了综合考虑脑内物质各向异性扩散、吸附和反应过程的数学模型,模型方程采用隐式控制容积法进行数值求解.计算结果表明:组织迂曲度越大,物质的扩散越慢,当某一方向迂曲度较小时,物质浓度明显增大,物质扩散变快,由于脑组织的非均质性,脑内物质的扩散传递存在着竞争现象;吸附与反应作用会抑制脑内物质传递,吸附速率越大,抑制现象越明显,对于脑内非线性的米氏反应过程,当反应速率常数增大时,稳定浓度会显著减小,同时米氏常数的增大则会使得稳定浓度值增大.相较于吸附过程,米氏过程的抑制性作用更为明显.     

Asymptotic solution of wave front of the telegraph model of dispersive variability

A number of nonlinear phenomena in physical, chemical, economical and biological processes are described by the interplay of reaction and diffusion or by the interaction between convection and diffusion. Recently, it is found that telegraph equation is more suitable than ordinary diffusion equation in modelling reaction diffusion for such branches of sciences. In this paper we use the technique of asymptotic solution to find travelling wave solution for the telegraph model of dispersive variability which is a generalization of the Julian Cook model. Our model tackled special values of the time delay and the probability that an individual is disperser in a population of dispersers and nondispersers. The solution of our model is reduced to telegraph Fisher–Kolmogoroff invasion and Julian Cook models. Also, the effect of the time delay on the propagation speed is presented.     

Dead-core solutions for slightly non-isothermal diffusion-reaction problems with power-law kinetics

The paper deals with dead-core solutions to a non-isothermal reaction- diffusion problem with power-law kinetics for a single reaction that takes place in a catalyst pellet along with mass and heat transfer from the bulk phase to the outer pellet surface. The model boundary value problem for two coupled non-linear diffusion-reaction equations is solved using the semi-analytical method. The exact solutions are established under the assumption of a small temperature gradient in the pellet. The nonlinear algebraic expressions are derived for the critical Thiele modulus, dead-zone length, reactant concentration, and temperature profiles in catalyst pellets of planar geometry. The effects of the reaction order, Arrhenius number, energy generation function, Thiele modulus, and Biot numbers are investigated on the concentration and temperature profiles, dead-zone length, and critical Thiele modulus.     

Asymptotic solution of wave front of the telegraph model of dispersive variability

A number of nonlinear phenomena in physical, chemical, economical and biological processes are described by the interplay of reaction and diffusion or by the interaction between convection and diffusion. Recently, it is found that telegraph equation is more suitable than ordinary diffusion equation in modelling reaction diffusion for such branches of sciences. In this paper we use the technique of asymptotic solution to find travelling wave solution for the telegraph model of dispersive variability which is a generalization of the Julian Cook model. Our model tackled special values of the time delay and the probability that an individual is disperser in a population of dispersers and nondispersers. The solution of our model is reduced to telegraph Fisher–Kolmogoroff invasion and Julian Cook models. Also, the effect of the time delay on the propagation speed is presented.     

Conversion estimates for gas-solid reactions

Many chemical engineering processes involve a reaction between a diffusing substance and an immobile solid phase. The usual treatments are based on the assumptions that either diffusion or reaction dominates. Instead, we shall model an isothermal process in which reaction and diffusion are of the same order as would occur, for instance, in low temperature coke burning. Mass balances then lead to a parabolic system for the concentrations of the two phases. The system can be reduced to a scalar parabolic problem for the cumulative gas concentration. The popular pseudo-steady-state approximation is then obtained by setting the porosity ∈ equal to zero. This pseudo-steady-state problem is an elliptic problem in which time appears only as a parameter in the boundary condition. In previous work, we have shown that the pseudo-steady-state solution provides an O(∈) approximation to the exact concentration, uniformly in space and time. The present paper is concerned with estimates for the conversion, that is, the fraction of solid that has been converted to products by time t. We obtain bounds for the conversion in terms of a similar quantity (explicity calculable in some cases) for the pseudo-steady-state problem.     

A model for lime consolidation of porous solids

We propose a mathematical model describing the process of filling the pores of a building material with lime water solution with the goal to improve the consistency of the porous solid. Chemical reactions produce calcium carbonate which glues the solid particles together at some distance from the boundary and strengthens the whole structure. The model consists of a 3D convection–diffusion system with a nonlinear boundary condition for the liquid and for calcium hydroxide, coupled with the mass balance equations for the chemical reaction. The main result consists in proving that the system has a solution for each initial data from a physically relevant class. A 1D numerical test shows a qualitative agreement with experimental observations.     

Computational examples of reaction–convection–diffusion equations solution under the influence of fluid flow: First example

This paper presents several numerical tests on reaction–diffusion equations in the Turing space, affected by convective fields present in incompressible flows under the Schnakenberg reaction mechanism. The tests are performed in 2D on square unit, to which we impose an advective field from the solution of the problem of the flow in a cavity. The model developed consists of a decoupled system of equations of reaction–advection–diffusion, along with the Navier–Stokes equations of incompressible flow, which is solved simultaneously using the finite element method. The results show that the pattern generated by the concentrations of the reacting system varies both in time and space due to the effect exerted by the advective field.     

About modelling chemical vapour infiltration of pyrocarbon

Chemical vapour infiltration (CVI) is an important method for producing carbon reinforced carbon fibres (CFC). Thereby, initially gaseous carbon is deposited on the surface of a porous substrate. Mathematically, one has to deal with a moving boundary problem formed by the interface between the gas phase and the substrate surface. Within the gas phase, a nonlinear convection‐diffusion‐reaction‐system (cdr‐system) with a reduced reaction scheme to model the chemical reactions has to be solved. One‐dimensional simulations of deposition profiles within cylindrical model pores including an explicit construction of the moving boundary are performed for different values of the process parameters. Based on these calculations geometries and conditions for complete infiltration of the pores can be identified.     

基于有限元法的混凝土输水管内硫酸根离子扩散分析

暴露于硫酸盐环境中的混凝土输水管易遭受硫酸盐化学侵蚀,导致其耐久性退化、提前失效;而环境中硫酸根离子传输进入混凝土是其化学侵蚀的前提.为获得混凝土内硫酸根离子的扩散进程,首先基于Fick定律及质量守恒定律,建立饱和混凝土管内硫酸根离子的扩散-反应模型.其次,将扩散-反应模型的边界条件齐次化,建立其有限元控制方程.然后,开展硫酸钠溶液中水泥砂浆圆柱试件的腐蚀试验,测定试件不同深度处的硫酸根离子浓度,与模型计算结果对比,以验证模型.最后,开展数值模拟研究,分析混凝土输水管外表面、内外表面暴露于浓度恒定或振荡的硫酸盐溶液情况下管内硫酸根离子浓度的时空分布.     

A regularization of a reaction–diffusion system approximation to the two-phase Stefan problem

Reaction–diffusion system approximations to the classical two-phase Stefan problem are considered in the present study. A reaction–diffusion system approximation to the Stefan problem has been proposed by Hilhorst et al. from an ecological point of view, and they have given convergence results for the system. In the present study, a new reaction–diffusion system approximation to the Stefan problem is proposed based on regularization of the enthalpy–temperature constitutive relation. For a deeper understanding of the approximation mechanism by means of reaction–diffusion systems, the rates of convergence for both the solutions and the free boundaries are investigated.     

批量购买下免费商品赠送对新产品扩散的影响

在非耐用品的购买过程中,批量购买的消费行为较为普遍。本文基于Bass模型,将批量购买看作一个扩散过程,建立批量购买下含免费商品的产品扩散模型;然后在扩散模型中引入重复购买和价格策略等因素的影响,构建了优化模型群。对不同购买方式下的免费商品赠送进行仿真分析,同时对模型中重要参数进行优化后分析,计算分析表明:和单量购买情形一致,当存在批量购买时,免费商品的赠送同样会加快产品的扩散速度,但值得赠送更多的免费商品以达到利润最大化。消费者的批量购买量越大,就越有必要赠送更多的免费商品来让消费者了解该产品,甚至对每个消费者发放免费商品。同时,通过对赠送时期的对比分析,发现只有在产品引入初期赠送最佳,形成了“首期赠送效应”。最后,给出了参数对免费商品赠送水平的影响范围与趋势。     

Cross-diffusion induced Turing instability for a three species food chain model

In this paper, we study a strongly coupled reaction–diffusion system describing three interacting species in a food chain model, where the third species preys on the second one and simultaneously the second species preys on the first one. We first show that the unique positive equilibrium solution is globally asymptotically stable for the corresponding ODE system. The positive equilibrium solution remains linearly stable for the reaction–diffusion system without cross-diffusion, hence it does not belong to the classical Turing instability scheme. We further proved that the positive equilibrium solution is globally asymptotically stable for the reaction–diffusion system without cross-diffusion by constructing a Lyapunov function. But it becomes linearly unstable only when cross-diffusion also plays a role in the reaction–diffusion system, hence the instability is driven solely from the effect of cross-diffusion. Our results also exhibit some interesting combining effects of cross-diffusion, intra-species competitions and inter-species interactions.     

A multiscale finite element method for the solution of transport equations

A multiscale Galerkin finite element scheme based on the residual free bubble function method is proposed to generate stable and accurate solutions for the transport equations namely diffusion-reaction (DR), convection-diffusion (CD) and convection-diffusion-reaction (CDR) equations. These equations show multiscale behavior in reaction or convection dominated situations. The idea is based on the approximation of the definite integral of the interpolation function within the element, instead of the function approximation. The numerical experiments are performed using the bilinear Lagrangian elements. To validate the approach, the numerical results obtained for a benchmark problem are compared with the analytical solution in a wide range of Peclet and Damköhler numbers. The results show that the developed method is capable of generating stable and accurate solutions.     

Dynamical properties of the reaction–diffusion type model of fast synaptic transport

The modulation of a signal that is transmitted in the nerve system takes place in chemical synapses. This article focuses on the phenomena undergone in the presynaptic part of the synapse. A diffusion–reaction type model based on the partial differential equation is proposed. Through an averaging procedure this model is reduced to a model based on ordinary differential equations with control, which is then analyzed according to its dynamical properties—controllability, observability and stability. The system is strongly connected to the one introduced by Aristizabal and Glavinovic (2004) [13]. The biological implications of the obtained mathematical results are also discussed.     

Periodic Plane Waves for the Oregonator

The Oregonator is a set of differential equations proposed by R. J. Field and R. M. Noyes as a model for the oscillating chemical reaction first studied by B. P. Belousov and A. M. Zhabotinskii. In this paper it is shown that the associated diffusion equations have periodic plane waves for parameter values not covered in earlier work. This amounts to studying a singularly perturbed system when nothing is known about the stability of periodic solutions for the reduced system.     

Effective models for reactive flow under a dominant Péclet number and order one Damköhler number: Numerical simulations

The paper is devoted to the longitudinal dispersion of a soluble substance released in a steady laminar flow through a slit channel with heterogeneous reaction at the outer wall. The reactive transport happens in the presence of a dominant Péclet number and order one Damköhler number. In particular, these Péclet numbers correspond to Taylor’s dispersion regime. An effective model for the enhanced diffusion in this context was derived recently. It contains memory effects and contributions to the effective diffusion and effective advection velocity, due to the flow and chemistry reaction regime. In the present paper, we show through numerical simulations the efficiency of this new model. In particular, using Taylor’s ‘historical’ parameters, we illustrate that our derived contributions are important and that using them is necessary in order to simulate correctly the reactive flows. We emphasize three main points. First, we show how the effective diffusion is enhanced by chemical effects at dispersive times. Second, our model captures an intermediate regime where the diffusion is anomalous and the distribution is asymmetric. Third, we show how the chemical effects also slow down the average speed of the front.     

Convergence of a random walk method for a partial differential equation

A Cauchy problem for a one-dimensional diffusion-reaction equation is solved on a grid by a random walk method, in which the diffusion part is solved by random walk of particles, and the (nonlinear) reaction part is solved via Euler's polygonal arc method. Unlike in the literature, we do not assume monotonicity for the initial condition. It is proved that the algorithm converges and the rate of convergence is of order , where is the spatial mesh length.

     

Direct discontinuous Galerkin method for nonlinear reaction–diffusion systems in pattern formation

Nonlinear reaction–diffusion systems are often employed in mathematical modeling for pattern formation. Most of the work to date has been concerned within one-dimensional or rectangular domains. However, it is recognised that in most applications multidimensional complex geometrical domains are typically more important. In this paper we solve reaction–diffusion systems by combining direct discontinuous Galerkin (DDG) finite element methods with implicit integration factor (IIF) time integration method, on triangular meshes. This allows us solve the nonlinear algebraic systems on an element-by-element bases with significant gains in computational time. Numerical solutions of two reaction–diffusion systems, the well-studied Schnakenberg model and chloride–iodide–malonic acid (CIMA) reactive model, are presented to demonstrate effects of various domain geometries on the resulting biological patterns. Our numerical results are in good agreement with other numerical and analytical results, and with experimental results.