Single-component and binary H2O and CO2 co-adsorption isotherm model on amine-functionalised Mg-Al mixed metal oxides

Zhuozhen Gan , Qingyang Shao , Bingyao Ge , Qiang Wang , Xuancan Zhu
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Abstract

Development of amine-functionalised CO2 adsorbents for negative emissions is a popular research topic in the field of direct air capture (DAC). While most studies aim to improve the adsorption capacities of DAC adsorbents, it is imperative to accurately model the DAC process to understand its roles and reduce operating costs. To this end, a comprehensive understanding and systematic modelling of the adsorption behaviour of amine-functionalised materials is essential. This includes examining the effect of H2O on CO2 adsorption under air conditions and desorption by steam purging. In this study, a fundamental analysis of single-component and binary H2O and CO2 adsorption by amine-functionalised Mg-Al mixed metal oxides (MMOs) was performed. Single-component H2O and CO2 adsorption experimental data were obtained using Guggenheim Anderson De Boer and modified Sips models, respectively. To fit the CO2 uptake at different temperatures (25–75 °C), CO2 isotherm models take into account both thermodynamic and diffusive factors. Subsequently, a novel mechanistic H2O and CO2 co-adsorption isotherm model is developed and calibrated with the breakthrough experiments. The mechanistic co-adsorption isotherm model captured the improvement in the equilibrium CO2 capacity in the presence of H2O. Moreover, the co-adsorption model considers the synergistic effects of H2O and heat. Overall, the proposed isotherm models are expected to be useful in modelling DAC processes based on novel amine-functionalised adsorbents under complex conditions and ultimately guiding DAC process design and optimisation.
胺功能化镁铝混合金属氧化物上的单组分和二元 H2O 和 CO2 共吸附等温线模型
开发用于负排放的胺功能化二氧化碳吸附剂是直接空气捕集(DAC)领域的一个热门研究课题。虽然大多数研究旨在提高 DAC 吸附剂的吸附能力,但当务之急是对 DAC 过程进行精确建模,以了解其作用并降低运营成本。为此,对胺功能化材料的吸附行为进行全面了解和系统建模至关重要。这包括研究 H2O 在空气条件下对二氧化碳吸附以及通过蒸汽吹扫脱附的影响。本研究对胺功能化镁铝混合金属氧化物(MMOs)对单组分和二元 H2O 和 CO2 的吸附进行了基本分析。利用古根海姆-安德森-德布尔模型和改进的西普斯模型分别获得了单组分 H2O 和 CO2 吸附实验数据。为了拟合不同温度(25-75 °C)下的二氧化碳吸收情况,二氧化碳等温线模型考虑了热力学和扩散因素。随后,建立了一个新的 H2O 和 CO2 机械共吸附等温线模型,并用突破实验进行了校准。机理共吸附等温线模型捕捉到了 H2O 存在时二氧化碳平衡容量的提高。此外,共吸附模型还考虑了 H2O 和热量的协同效应。总之,所提出的等温线模型有望用于模拟复杂条件下基于新型胺功能化吸附剂的 DAC 过程,并最终指导 DAC 过程的设计和优化。
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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