Validation of a lattice Boltzmann model for gas-solid reactions with experiments

A lattice Boltzmann method is used to model gas-solid reactions where the composition of both the gas and solid phase changes with time, while the boundary between phases remains fixed. The flow of the bulk gas phase is treated using a multiple relaxation time MRT D3Q19 model; the dilute reactant is treated as a passive scalar using a single relaxation time BGK D3Q7 model with distinct inter- and intraparticle diffusivities. A first-order reaction is incorporated by modifying the method of Sullivan et al. [13] to include the conversion of a solid reactant. The detailed computational model is able to capture the multiscale physics encountered in reactor systems. Specifically, the model reproduced steady state analytical solutions for the reaction of a porous catalyst sphere (pore scale) and empirical solutions for mass transfer to the surface of a sphere at Re=10 (particle scale). Excellent quantitative agreement between the model and experiments for the transient reduction of a single, porous sphere of Fe 2O 3 to Fe 3O 4 in CO at 1023K and 10 5Pa is demonstrated. Model solutions for the reduction of a packed bed of Fe 2O 3 (reactor scale) at identical conditions approached those of experiments after 25 s, but required prohibitively long processor times. The presented lattice Boltzmann model resolved successfully mass transport at the pore, particle and reactor scales and highlights the relevance of LB methods for modelling convection, diffusion and reaction physics. © 2012 Elsevier Inc.

Novel applications of BEM based Poisson level set approach

Accurate and efficient computation of the distance function d for a given domain is important for many areas of numerical modeling. Partial differential (e.g. HamiltonJacobi type) equation based distance function algorithms have desirable computational efficiency and accuracy. In this study, as an alternative, a Poisson equation based level set (distance function) is considered and solved using the meshless boundary element method (BEM). The application of this for shape topology analysis, including the medial axis for domain decomposition, geometric de-featuring and other aspects of numerical modeling is assessed. © 2011 Elsevier Ltd. All rights reserved.

基于Lattice Boltzmann模型的液-液混合流模拟

引入了一种二元Lattice Boltzmann Model(LBM),实现了两种液体组成的混合流的模拟.不同于其它的类似模型,它区分考虑了流体的粘性和扩散特性,可以很容易地模拟各种互溶或者不互溶的混合流现象.此外,由于LBM的运算大都是线性的局部运算,这使得它很容易在可编程图形处理器(Graphics Process Unit,GPU)上进行加速,从而进行实时模拟.给出了若干二元混合流的模拟结果.

同位旋相关的Boltzmann-Langevin方程及新核素~(19)Na产生截面的研究

介绍了一种同位旋相关的输运方程 ,研究了在入射能量为 2 8.7和 6 0 .0MeV/u时　 12 C +12 C的反应 ,对模型进行检验 ,发现计算结果较好地符合实验结果 ,说明了方程的可靠性 .利用该模型研究了在入射能量为 2 8.7MeV/u下反应系统17— 2 0 ,2 2 Ne+12 C中核素19Na的产生截面 ,发现缺中子核引起的反应 ,具有更大19Na的产生截面 ,为新核素的探测找到了理论依据 .

Lattice Boltzmann study of hydrodynamic effects in lamellar ordering process of two-dimensional quenched block copolymers

By incorporating self-consistent field theory with lattice Boltzmann method, a model for polymer melts is proposed. Compared with models based on Ginzburg-Landau free energy, our model does not employ phenomenological free energies to describe systems and can consider the chain topological details of polymers. We use this model to study the effects of hydrodynamic interactions on the dynamics of microphase separation for block copolymers. In the early stage of phase separation, an exponential growth predicted by Cahn-Hilliard treatment is found. Simulation results also show that the effect of hydrodynamic interactions can be neglected in the early stage.

Studies on coarsening of microdomains in binary polymer mixtures by Lattice Boltzmann methods

An improved free energy approach Lattice Boltzmann model(LBM) is proposed by introducing a forcing term instead of the pressure tensor. This model can reach the proper thermodynamic equilibrium after enough simulation time. On the basis of this model, the phase separation in binary polymer mixtures is studied by applying a Flory-Huggins-type free energy. The numerical results show good agreement with the analytic coexistence curve. This model can also be used to study the coarsening of microdomains in binary polymer mixtures at the early and intermediate stages.

STUDY OF COARSENING OF MICRODOMAINS IN BLOCK COPOLYMERS BY LATTICE BOLTZMANN METHODS

In order to understand the coarsening of microdomains in symmetric diblock copolymers at the late stage, a model for block copolymers is proposed. By incorporating the self consistent field theory with the free energy approach Lattice Boltzmann model, hydrodynamic interactions can be considered. Compared with models based on Ginzburg-Landau free energy, this model does not employ phenomenological free energies to describe systems. The model is verified by comparing the simulation results obtained using this method with those of a dynamical version of the self consistent mean field theory. After that,the growth exponents of the characteristic domain size for symmetric block copolymers at late stage are studied. It is found that the viscosity of the system affects the growth exponents greatly, although the growth exponents are all less than 1/3 Furthermore, the relations between the growth exponent, the interaction parameter and the chain length are studied.

Distribuição de Poisson e sistema de informações geográficas: analisando secas mensais.

O objetivo deste documento é mostrar o potencial da integração de um sistema de informações geográficas (SIG) com um modelo de probabilidade, usando a distribuição de Poisson, para espacializar variáveis discretas. Modelos estatísticos são ferramentas importantes no estudo de variáveis ambientais, principalmente com a crescente importância da valoração do capital ambiental. A distribuição do Poisson é um bom modelo estatístico para manejo de variáveis discretas, pois mostra seu comportamento. Um passo posterior seria saber como essas variáveis se comportam no espaço, mostrando sua distribuição espacial. Nesse caso, os sistemas de informações geográficas (SIG) são bastante eficientes (Miranda, 2005). Para testar o uso de ambas as ferramentas e mostrar sua eficiência, este trabalho traz uma implementação específica usando uma variável ambiental discreta, secas mensais.

Convergence of numerical time-averaging and stationary measures via Poisson equations

Numerical approximation of the long time behavior of a stochastic di.erential equation (SDE) is considered. Error estimates for time-averaging estimators are obtained and then used to show that the stationary behavior of the numerical method converges to that of the SDE. The error analysis is based on using an associated Poisson equation for the underlying SDE. The main advantages of this approach are its simplicity and universality. It works equally well for a range of explicit and implicit schemes, including those with simple simulation of random variables, and for hypoelliptic SDEs. To simplify the exposition, we consider only the case where the state space of the SDE is a torus, and we study only smooth test functions. However, we anticipate that the approach can be applied more widely. An analogy between our approach and Stein's method is indicated. Some practical implications of the results are discussed. Copyright © by SIAM. Unauthorized reproduction of this article is prohibited.

A Markov modulated Poisson process model for rainfall increments

The problems encountered when using traditional rectangular pulse hierarchical point processmodels for fine temporal resolution and the growing number of available tip-time records suggest that rainfall increments from tipping-bucket gauges be modelled directly. Poisson processes are used with an arrival rate modulated by a Markov chain in Continuous time. The paper shows how, by using two or three states for this chain, much of the structure of the rainfall intensity distribution and the wet/dry sequences can be represented for time-scales as small as 5 minutes.