The paper deals with the development of a one-dimensional model to simulate an industrial adsorption process of ammonia on zinc sulphate-doped activated carbon. It is described by mass balance, thermodynamic and adsorption kinetics equations. Since equilibrium is involved in the model, we started with experimental measurements of ammonia adsorption isotherms on doped activated carbon. A method based on the sensitivity analysis of parameters was used to evaluate the estimability of unknown parameters involved in the Sips adsorption isotherm equation. The estimable parameters were then identified using experimental data at three different temperatures, i.e. 285, 293 and 313 K. Experimental breakthrough fronts at different ammonia concentrations and gas flow rates were then used to determine the overall mass transfer coefficient and the axial dispersion coefficient involved in the model equations, implemented and solved within Comsol Multiphysics® software. Finally, we validated the model by means of four additional breakthrough fronts that were different from those used to identify the parameters. The model predictions and the experimental measurements show a very agreement which is quantified by the performance indices of the model and confirmed by a chi-squared test. The validated model can be used as a predictive tool for the design and optimization of the ammonia adsorption process for air purification boxes used to equip cabins with pressurization and air-conditioning of mechanical devices.

该论文涉及开发一维模型来模拟氨在掺杂硫酸锌的活性炭上的工业吸附过程。它由质量平衡、热力学和吸附动力学方程描述。由于模型中涉及平衡，我们从掺杂活性炭上氨吸附等温线的实验测量开始。一种基于参数敏感性分析的方法被用来评估Sips吸附等温线方程中涉及的未知参数的可估计性。然后使用三个不同温度（即 285、293 和 313 K）下的实验数据确定可估计参数。然后使用不同氨浓度和气体流速下的实验突破前沿来确定模型方程中涉及的整体传质系数和轴向扩散系数，在 Comsol Multiphysics® 软件中实施和求解。最后，我们通过四个额外的突破前沿验证了模型，这些前沿与用于识别参数的前沿不同。模型预测和实验测量结果非常一致，这可以通过模型的性能指标进行量化并通过卡方检验进行确认。经验证的模型可用作设计和优化空气净化箱的氨吸附过程的预测工具，该空气净化箱用于为机舱配备增压和空调机械装置。