Kinetic Model of Ag/MgO-Al2O3 Passive NOx Adsorber with Spillover Effects

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Industrial & Engineering Chemistry Research Pub Date : 2026-10-21 Epub Date: 2026-10-12 DOI:10.1021/acs.iecr.5c04523

Vinayak Bansal, Aayushi Shrivastava, Marvi Kaushik, Syed Saif Ali, Divesh Bhatia

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Abstract

A kinetic model based on mechanistic studies is developed and integrated with a reactor model to simulate the NO_x adsorption–desorption behavior of a Ag/MgO-Al₂O₃ passive NO_x adsorber (PNA). DRIFTS experiments are conducted to identify the surface species that support the model formulation. A multisite model is proposed in the absence of H₂ and incorporates NO_x spillover between the metallic and support sites. The model accurately predicts the NO_x storage capacity and reproduces the key trends in the outlet concentration profiles. The enhancement in the NO_x storage in the presence of H₂ is also captured and is explained by the conversion of Ag₂O to metallic Ag sites. Parametric studies further demonstrate the influence of NO_x speciation on storage capacity and desorption profiles. Overall, the model offers mechanistic insights into multisite NO_x storage pathways and accurately simulates PNA performance under varying conditions.

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具有溢出效应的Ag/MgO-Al2O3被动NOx吸附剂动力学模型

建立了基于机理研究的动力学模型，并将其与反应器模型相结合，模拟了Ag/MgO-Al2O3被动NOx吸附剂（PNA）的NOx吸附-解吸行为。进行了DRIFTS实验，以确定支持模型公式的地表物种。在没有H2的情况下，提出了一个多站点模型，并考虑了金属和支持站点之间的NOx溢出。该模型准确地预测了NOx的存储容量，并再现了出口浓度曲线的关键趋势。在H2存在的情况下，氮氧化物储存的增强也被捕获，并被解释为Ag2O向金属Ag位点的转化。参数研究进一步证明了氮氧化物形态对存储容量和解吸剖面的影响。总的来说，该模型提供了对多地点NOx储存途径的机理见解，并准确地模拟了不同条件下PNA的性能。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Industrial & Engineering Chemistry Research 工程技术-工程：化工

CiteScore

7.40

自引率

7.10%

发文量

1467

审稿时长

2.8 months

期刊介绍： ndustrial & Engineering Chemistry, with variations in title and format, has been published since 1909 by the American Chemical Society. Industrial & Engineering Chemistry Research is a weekly publication that reports industrial and academic research in the broad fields of applied chemistry and chemical engineering with special focus on fundamentals, processes, and products.