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首页> 外文期刊>RSC Advances >Theory and simulation of diffusion-adsorption into a molecularly imprinted mesoporous film and its nanostructured counterparts. Experimental application for trace explosive detection
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Theory and simulation of diffusion-adsorption into a molecularly imprinted mesoporous film and its nanostructured counterparts. Experimental application for trace explosive detection

机译：分子印迹中孔膜及其纳米结构对应物扩散吸附的理论和模拟。痕量爆炸物检测的实验应用

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摘要

To better understand the complex situation of diffusion-adsorption of small gas molecules in molecularly imprinted porous (MIP) systems, two general and suitable physicomathematical models have been developed for the molecularly imprinted mesoporous film and its nanostructured counterparts. These theoretical and numerical formulations give a quantitative and general description of the complicated diffusion-absorption kinetic behavior of trace analytes in the MIP systems. These models show a strong dependence of the performance (sensitivity and selectivity) of the constructed chemosensors on their structure and imprinting efficiency, and provide the determined preparation factors to achieve high-performance chemosensors. As a demonstration, chemosensors based on the TNT-imprinted mesoporous films with P6mm structures were fabricated, and confirmed the validity and suitability of the physicomathematical models. Yet, these modes may easily be modified and expanded to other research fields, such as catalysis and separation.
机译：为了更好地了解分子印迹多孔（MIP）系统中小气体分子的扩散吸附的复杂情况，已经为分子印迹介孔膜及其纳米结构对应物开发了两种通用且合适的物理化学模型。这些理论和数值公式对MIP系统中痕量分析物的复杂扩散吸收动力学行为进行了定量和一般性描述。这些模型显示了所构造化学传感器的性能（灵敏度和选择性）强烈依赖于它们的结构和印迹效率，并提供了确定的制备因子以实现高性能化学传感器。作为演示，基于TNT印迹的具有P6mm结构的中孔膜的化学传感器被制造出来，并证实了物理运动学模型的有效性和适用性。然而，可以容易地修改这些模式并将其扩展到其他研究领域，例如催化和分离。

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