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Liping Yang Hanbang Liu Jiacheng Xing Dr. Danhua Yuan Prof. Dr. Yunpeng Xu Prof. Dr. Zhongmin Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(20):6187-6190
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. 相似文献
23.
分析了电子的准中性假设、玻耳兹曼分布假设、粒子模型在电推力器流动模拟中的适用性和优劣性,提出了一种新的电子处理方法——电子漂移扩散近似,采用该方法模拟了离子发动机栅极光学系统等离子体运动过程。结果表明:该方法得出的电势分布、离子相空间分布及电子数密度分布与经典的电子玻耳兹曼分布假设处理方法计算结果一致,验证了该方法可以很好地应用于电推力器栅极光学系统模拟。 相似文献
24.
This paper reports numerical convergence study for simulations of steady shock‐induced combustion problems with high‐resolution shock‐capturing schemes. Five typical schemes are used: the Roe flux‐based monotone upstream‐centered scheme for conservation laws (MUSCL) and weighted essentially non‐oscillatory (WENO) schemes, the Lax–Friedrichs splitting‐based non‐oscillatory no‐free parameter dissipative (NND) and WENO schemes, and the Harten–Yee upwind total variation diminishing (TVD) scheme. These schemes are implemented with the finite volume discretization on structured quadrilateral meshes in dimension‐by‐dimension way and the lower–upper symmetric Gauss–Seidel (LU–SGS) relaxation method for solving the axisymmetric multispecies reactive Navier–Stokes equations. Comparison of iterative convergence between different schemes has been made using supersonic combustion flows around a spherical projectile with Mach numbers M = 3.55 and 6.46 and a ram accelerator with M = 6.7. These test cases were regarded as steady combustion problems in literature. Calculations on gradually refined meshes show that the second‐order NND, MUSCL, and TVD schemes can converge well to steady states from coarse through fine meshes for M = 3.55 case in which shock and combustion fronts are separate, whereas the (nominally) fifth‐order WENO schemes can only converge to some residual level. More interestingly, the numerical results show that all the schemes do not converge to steady‐state solutions for M = 6.46 in the spherical projectile and M = 6.7 in the ram accelerator cases on fine meshes although they all converge on coarser meshes or on fine meshes without chemical reactions. The result is based on the particular preconditioner of LU–SGS scheme. Possible reasons for the nonconvergence in reactive flow simulation are discussed.Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
25.
Qiuhua Liang 《国际流体数值方法杂志》2012,69(2):442-458
This paper presents a new simplified grid system that provides local refinement and dynamic adaptation for solving the 2D shallow water equations (SWEs). Local refinement is realized by simply specifying different subdivision levels to the cells on a background uniform coarse grid that covers the computational domain. On such a non‐uniform grid, the structured property of a regular Cartesian mesh is maintained and neighbor information is determined by simple algebraic relationships, i.e. data structure becomes unnecessary. Dynamic grid adaptation is achieved by changing the subdivision level of a background cell. Therefore, grid generation and adaptation is greatly simplified and straightforward to implement. The new adaptive grid‐based SWE solver is tested by applying it to simulate three idealized test cases and promising results are obtained. The new grid system offers a simplified alternative to the existing approaches for providing adaptive mesh refinement in computational fluid dynamics. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
26.
Experiments were carried out to observe the effect of a magnetic field and grid biasing voltage in presence of a plasma bubble in a magnetized, filamentary discharge plasma system. A spherical mesh grid of 80% optical transparency was negatively biased and introduced into the plasma for creating a plasma bubble. Diagnostics via an electrical Langmuir probe and a hot emissive probe were extensively used for scanning the plasma bubble. Plasma floating potential fluctuations were measured at three different positions of the plasma bubble. The instability in the pattern showed the dynamic transition from periodic to chaotic for increasing magnetic fields. Time scale analysis using continuous wavelet transform was carried out to identify the presence of non‐linearity from the contour plots. The mechanisms of the low‐frequency instabilities along with the transition to chaos could be qualitatively explained. Non‐linear techniques such as fast Fourier transform, phase space plot, and recurrence plot were used to explore the dynamics of the system appearing during plasma fluctuations. In order to demonstrate the observed chaotic phenomena in this study, characteristics of chaos such as the Lyapunov exponent were obtained from experimental time series data. The experimentally observed potential structure is confirmed with numerical analysis based on fluid hydrodynamics. 相似文献
27.
Non‐intrusive reduced‐order modeling for multiphase porous media flows using Smolyak sparse grids 下载免费PDF全文
Dunhui Xiao Zhi Lin Fangxin Fang Christopher C. Pain Ionel M. Navon Pablo Salinas Ann Muggeridge 《国际流体数值方法杂志》2017,83(2):205-219
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. 相似文献
28.
Decoupled two‐grid finite element method for the time‐dependent natural convection problem I: Spatial discretization 下载免费PDF全文
Tong Zhang JinYun Yuan ZhiYong Si 《Numerical Methods for Partial Differential Equations》2015,31(6):2135-2168
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 相似文献
29.
Chun-Yaung Lu Tsung-Yen Lee Chia-Chun Chou 《International journal of quantum chemistry》2020,120(1):e26055
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. 相似文献
30.
马昌凤 《高校应用数学学报(A辑)》2006,21(3):349-356
针对二阶椭圆型单障碍问题提出了一类基于非匹配网格的Lagrang ian乘子非重叠型区域分解方法.并在适当条件下给出了该方法的收敛性分析和收敛速度估计. 相似文献