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首页> 外文期刊>The Journal of Chemical Physics >Competitive effects between stationary chemical reaction centres: A theory based on off-center monopoles
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Competitive effects between stationary chemical reaction centres: A theory based on off-center monopoles

机译:固定化学反应中心之间的竞争效应:基于偏心单极子的理论

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The subject of this paper is competitive effects between multiple reaction sinks. A theory based on off-center monopoles is developed for the steady-state diffusion equation and for the convection-diffusion equation with a constant flow field. The dipolar approximation for the diffusion equation with two equal reaction centres is compared with the exact solution. The former turns out to be remarkably accurate, even for two touching spheres. Numerical evidence is presented to show that the same holds for larger clusters (with more than two spheres). The theory is extended to the convection-diffusion equation with a constant flow field. As one increases the convective velocity, the competitive effects between the reactive centres gradually become less significant. This is demonstrated for a number of cluster configurations. At high flow velocities, the current methodology breaks down. Fixing this problem will be the subject of future research. The current method is useful as an easy-to-use tool for the calibration of other more complicated models in mass and/or heat transfer. (C) 2015 Author(s).
机译:本文的主题是多个反应槽之间的竞争效应。提出了基于偏心单极子的理论,用于稳态扩散方程和具有恒定流场的对流扩散方程。将具有两个相等反应中心的扩散方程的偶极近似与精确解进行比较。即使对于两个接触球体,前者也非常准确。数值证据表明,对于较大的星团(两个以上的球体)也是如此。该理论扩展到具有恒定流场的对流扩散方程。随着对流速度的增加,反应中心之间的竞争效应逐渐变得不那么明显。大量集群配置对此进行了演示。在高流速下,当前的方法会崩溃。解决此问题将是未来研究的主题。当前的方法可用作易于使用的工具,用于校准质量和/或热传递中的其他更复杂的模型。 (C)2015年作者。

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