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931.
In this article, an assessment of surface structural heterogeneity in porous metal organic framework (MOF) structure has been demonstrated by employing the methane and carbon-dioxide adsorption isotherms data. The virgin MIL-101-(Cr) MOF was synthesized by the hydrothermal method and defects were induced in the MOF structure by doping with various alkali (K, Na, Li) cations. The synthesized MOFs were characterized by XRD, SEM, EDX and BET measurement techniques. In order to understand the defect induced surface heterogeneity by alkali cation dopants, the surface energy distributions for CH4 and CO2 adsorptions on MOFs were measured by Dubinin – Astakhov model equation. The surface heterogeneity is mainly controlled by the limiting uptakes of adsorbates, the polarizability of adsorbates and the adsorbate-adsorbent interaction energy. 相似文献
932.
933.
采用分子动力学方法模拟了纳米管道内水分子的流动行为. 考察了压强差、 管道直径和管道长度对通量的影响, 验证了流体在直径为2~2.8 nm管道中的流动行为符合Hagen-Poiseuille(HP)方程. 研究发现, 末端效应具有长度依赖性, 对于较短的管道其末端效应更为显著. 为了深入了解真实非均匀管道的流动行为, 使用直径不同的2种管道以不同的连接顺序组合成4种非均匀管道模型, 最终得到了不同的流量. 提出了二元管道模型, 对非均匀管道内的流动行为进行了初步探讨. 相似文献
934.
935.
Low melting temperature thermoplastic sheets based on poly(e-caprolactone) (PCL) can be formed directly on the patient and
are used as immobilization device (mask) in the radiation therapy. The immobilization mask is allowed to harden in isometric
conditions on the body at room temperature. A new method for isometric crystallization kinetics of thermoplastic polymer sheets
is developed using a tensile-strength instrument. The isometric crystallization method allows investigating the shrinkage
force on time of crystallization of stretched samples of thermoplastic polymer sheets or immobilization medical devices. The
dependence of the shrinkage force on time is described by Avrami equation and the kinetics parameters of isometric crystallization
are calculated.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
936.
Stephen Fletcher 《Journal of Solid State Electrochemistry》2009,13(4):537-549
Tafel slopes for multistep electrochemical reactions are derived from first principles. The derivation takes place in two stages. First, Dirac’s perturbation theory is used to solve the Schrödinger equation. Second, current–voltage curves are obtained by integrating the single-state results over the full density of states in electrolyte solutions. Thermal equilibrium is assumed throughout. Somewhat surprisingly, it is found that the symmetry factor that appears in the Butler–Volmer equation is different from the symmetry factor that appears in electron transfer theory, and a conversion formula is given. Finally, the Tafel slopes are compiled in a convenient look-up table. 相似文献
937.
纳滤膜对电解质溶液分离特性的理论研究(II): 混合电解质溶液 总被引:3,自引:0,他引:3
假定纳滤膜具有狭缝状孔, 使用纯水透过系数、膜孔径及膜表面电势来表征纳滤膜的分离特征, 用流体力学半径和无限稀释扩散系数表征了离子特性. 采用扩展Nernst-Planck方程、Donnan平衡模型和Poisson-Boltzmann理论描述了混合电解质溶液中离子在膜孔内的传递现象, 计算了三种商用纳滤膜(ESNA1-LF, ESNA1和LES90)对同阴离子、同阳离子和含四种离子的混合电解质体系中离子的截留率, 并与实验数据进行了比较. 计算结果表明, 电解质溶液中离子在纳滤膜孔内传递的主要机理是离子的扩散和电迁移, 纳滤膜对混合电解质溶液中离子的分离效果主要由空间位阻和静电效应决定. 该模型在低浓度时对含一价离子的混合电解质溶液通过纳滤膜的截留率计算结果比较准确, 但对高浓度或含高价离子的混合电解质溶液则偏差较大. 相似文献
938.
The knowledge of hydrocarbon/water phase equilibria is important in the design and operation of equipment for petroleum transport and refining and petrochemical plants. The presence of water in a hydrocarbon mixture can affect the product quality and damage the operation equipment due to corrosion and formation of gas hydrates. Tracing the concentration of hydrocarbons in aqueous media is also important for technical purposes like preventing oil spills and for ecological concerns such as predicting the fate of these organic pollutants in the environment. 相似文献
939.
Zhi-Cheng Wang Wan-Tong Li Shigui Ruan 《Journal of Dynamics and Differential Equations》2008,20(3):573-607
In this paper, we study the existence, uniqueness and stability of traveling wave fronts in the following nonlocal reaction–diffusion
equation with delay
Under the monostable assumption, we show that there exists a minimal wave speed c* > 0, such that the equation has no traveling wave front for 0 < c < c* and a traveling wave front for each c ≥ c*. Furthermore, we show that for c > c*, such a traveling wave front is unique up to translation and is globally asymptotically stable. When applied to some population
models, these results cover, complement and/or improve a number of existing ones. In particular, our results show that (i)
if ∂2
f (0, 0) > 0, then the delay can slow the spreading speed of the wave fronts and the nonlocality can increase the spreading
speed; and (ii) if ∂2
f (0, 0) = 0, then the delay and nonlocality do not affect the spreading speed.
相似文献
940.
将重构核粒子法和势问题的边界积分方程方法结合,提出了势问题的重构核粒子边界无单元法. 推导了势问题的重构核粒子边界无单元法的公式,研究其数值积分方案,建立了重构核粒子边界无单元法的离散化边界积分方程,并推导了重构核粒子边界无单元法的内点位势的积分公式. 重构核粒子法形成的形函数具有重构核函数的光滑性,且能再现多项式在插值点的精确值,所以该方法具有更高的精度. 最后给出了数值算例,验证了所提方法的有效性和正确性. } 相似文献