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首页> 外文期刊>Chemistry: A European journal >Theoretical trends of diffusion and reaction into tubular nano- and mesoporous structures: General physicochemical and physicomathematical modeling
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Theoretical trends of diffusion and reaction into tubular nano- and mesoporous structures: General physicochemical and physicomathematical modeling

机译：扩散和反应进入管状纳米和中孔结构的理论趋势：一般物理化学和物理化学模型

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摘要

A general and adaptable physicochemical model is presented to evaluate the mass transport within nanopores of mesoporous particles when the mass transport is coupled to heterogeneous kinetics occurring at active sites located onto the nanopore walls surface. The model framework encompasses almost all situations of practical interest in solutions and may be used for characterizing the kinetic rates and constants controlling the system under different sets of experimental conditions. Furthermore, it allows the delineation of simple effective parameters, which should be most useful for optimizing a given material in view of specific applications. For the sake of clarification the simplified model is presented and its results discussed by specializing it for cases where the reactions involve a simple adsorption of a target species on the nanopore immobilized sites as observed for inorganic sponges used in water decontamination. Yet it may easily be extended further to encompass a wider variety of situations where the sites immobilized onto the nanopore walls perform chemical or biochemical transformations as occur in supported catalysis in liquid solution.
机译：提出了一个通用且适应性强的物理化学模型，用于评估介孔粒子在纳米孔内的质量传输，并将其与位于纳米孔壁表面活性部位的异质动力学耦合。该模型框架涵盖了解决方案中几乎所有实际感兴趣的情况，并可用于表征在不同组实验条件下控制系统的动力学速率和常数。此外，它允许描述简单的有效参数，这对于根据特定应用优化给定材料最有用。为了澄清起见，给出了简化的模型，并通过专门化处理模型来讨论其结果，该模型适用于反应涉及目标物种在纳米孔固定位点上简单吸附的情况，如用于水净化的无机海绵所观察到的。然而，它可以容易地进一步扩展以涵盖更广泛的情况，其中固定在纳米孔壁上的位点执行化学或生化转变，如在液体溶液中的负载催化作用中发生的那样。

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