Separation of Xylene Isomers in the Anion-Pillared Square Grid Material SIFSIX-1-Cu

Xylene isomer separation is considered one of the seven separation challenges that changed the world. In addition, the high-energy demand of xylene separation highlights the need for efficient novel adsorbents. Herein, the liquid-phase separation potential of the anion-pillared hybrid material SIFSIX-1-Cu was studied for preferential adsorption of o-xylene and m-xylene over p-xylene, which was inspired by a previous complexation crystallization method for separating m-xylene. We report detailed experimental liquid-phase adsorption experiments, yielding selectivities of 3.0 for o-xylene versus p-xylene and 2.6 for m-xylene versus p-xylene. Our theoretical calculations thus provide a reasonable explanation that the xylene adsorption selectivity is attributed to the C−H⋅⋅⋅F interaction, and the host–guest interaction order agrees with the adsorption priority: o-xylene > m-xylene > p-xylene.     

Generation of linear and nonlinear waves in numerical wave tank using clustering technique-volume of fluid method

A two-dimensional (2D) numerical model is developed for the wave simulation and propagation in a wave flume.The fluid flow is assumed to be viscous and incompressible,and the Navier-Stokes and continui...     

Non‐intrusive reduced‐order modeling for multiphase porous media flows using Smolyak sparse grids

In this article, we describe a non‐intrusive reduction method for porous media multiphase flows using Smolyak sparse grids. This is the first attempt at applying such an non‐intrusive reduced‐order modelling (NIROM) based on Smolyak sparse grids to porous media multiphase flows. The advantage of this NIROM for porous media multiphase flows resides in that its non‐intrusiveness, which means it does not require modifications to the source code of full model. Another novelty is that it uses Smolyak sparse grids to construct a set of hypersurfaces representing the reduced‐porous media multiphase problem. This NIROM is implemented under the framework of an unstructured mesh control volume finite element multiphase model. Numerical examples show that the NIROM accuracy relative to the high‐fidelity model is maintained, whilst the computational cost is reduced by several orders of magnitude. Copyright © 2016 John Wiley & Sons, Ltd.     

一种基于并行混沌和SFLA的风电电网无功优化模型设计

针对已有方法在解决电网无功优化时,由于系统的无功不足和电网电压的不稳定,容易过早收敛到局部最优解的缺点,设计了一种基于并行混沌和混合蛙跳算法 (Shuffle Frog Leaping Algorithm, SFLA)的电网无功优化模型。首先,建立了最小化有功网损、最大化静态电压稳定裕度和最大化无功补偿单位投资收益的多目标数学优化模型,然后,对经典的SFLA进行改进,通过引入精英协同进化机制和划分种群的方式实现并行寻优,从而增加个体的多样性和加快最优解的求取速度,在不同种群中设计不同的适应度函数和个体更新进化方法。为了使得算法的初始解分布更为均匀,引入用混沌机制来对种群进行初始化,最后,对基于并行混沌和SFLA的总体算法进行了设计和分析。在Matlab环境下进行实验,实验结果表明文中方法得到的优化结果具有电网有功损耗小、单位投资收益高和静态电压稳定裕度大的优点,具有较强的可行性和适应性。     

Decoupled two‐grid finite element method for the time‐dependent natural convection problem I: Spatial discretization

In this article, a decoupled two grid finite element method (FEM) is proposed and analyzed for the nonsteady natural convection problem using the coarse grid numerical solutions to decouple the nonlinear coupled terms, and the corresponding optimal error estimates are derived. Compared with the standard Galerkin FEM and the usual two‐grid FEM, our algorithm not only keeps good accuracy but also saves a lot of computational cost. Some numerical examples are provided to verify the performances of the decoupled two‐grid FEM. Both theoretical analysis and numerical experiments show the efficiency and effectiveness of the decoupled two‐grid FEM for the nonsteady natural convection problem. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 2135–2168, 2015     

Numerical analysis for the mixed Navier–Stokes and Darcy Problem with the Beavers–Joseph interface condition

In this article, we consider the coupled Navier–Stokes and Darcy problem with the Beavers–Joseph interface condition. With suitable restrictions of physical parameters α and ν, we prove the existence and local uniqueness of a weak solution. Then we propose a coupled finite element scheme and a decoupled and linearized scheme based on two‐grid finite element. Under suitable further restrictions, their optimal error estimates are obtained. Finally numerical experiments indicate the validity of the theoretical results as well as the efficiency and effectiveness of the decoupled and linearized two‐grid algorithm. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1009–1030, 2015     

Moving boundary truncated grid method: Multidimensional quantum dynamics

The moving boundary truncated grid (TG) method is used to study wave packet dynamics of multidimensional quantum systems. As time evolves, appropriate Eulerian grid points required for propagating a wave packet are activated and deactivated with no advance information about the dynamics. This method is applied to the Henon-Heiles potential and wave packet barrier scattering in two, three, and four dimensions. Computational results demonstrate that the TG method not only leads to a great reduction in the number of grid points needed to perform accurate calculations but also is computationally more efficient than the full grid calculations.     

Development of a multi‐scale ocean model by using particle Laplacian method for anisotropic mass transfer

The direct injection of CO₂ into the deep ocean is one of the feasible ways for the mitigation of the global warming, although there is a concern about its environmental impact near the injection point. To minimize its biological impact, it is necessary to make CO₂ disperse as quickly as possible, and it is said that injection with a pipe towed by a moving ship is effective for this purpose. Because the injection ship moves over a spatial scale of O(10²km), a mesoscale model is necessary to analyse the dispersion of CO₂. At the same time, since it is important to investigate high CO₂ concentration near the injection point, a small‐scale model is also required. Therefore, in this study, a numerical model was developed to analyse CO₂ dispersion in the deep ocean by using a fixed mesoscale and a moving small‐scale grid systems, the latter of which is nested and moves in the former along the trajectory of the moving ship. To overcome the artificial diffusion of mass concentration at the interface of the two different grid systems and to keep its spatial accuracy almost the same as that in the small‐scale, a particle Laplacian method was adopted and newly modified for anisotropic diffusion in the ocean. Copyright © 2010 John Wiley & Sons, Ltd.