A state-of-the-art review of explicit multicomponent isotherm models for the modeling of equilibrium data: From fundamentals to applications

IF 9 1区 工程技术 Q1 ENGINEERING, CHEMICAL Separation and Purification Technology Pub Date : 2025-08-14 Epub Date: 2025-02-21 DOI:10.1016/j.seppur.2025.132202
Qili Hu , Liting Hao , Qiuming Pei , Yunhui Zhang
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Abstract

This review provided a comprehensive analysis of explicit multicomponent isotherm models for the modeling of equilibrium data in adsorption processes, covering their fundamental principles and practical applications. The complexity of multicomponent adsorption was highlighted, and the potential effects of water molecules, pH, and initial concentration on the adsorption process were emphasized. The review systematically categorized explicit multicomponent isotherm models into predictive and correlative approaches, discussing their underlying assumptions, thermodynamic consistency, and practical applications. The predictive models relied only on single-component isotherm parameters but usually failed to account for the complex adsorption processes. In contrast, the correlative models could offer higher fitting quality due to the incorporation of interaction factors or competition coefficients. The review addressed common mistakes encountered in data processing, model selection, and parameter estimation, emphasizing the importance of accurate determination of isotherm data. Some typical cases were presented to demonstrate the practical application of these models in predicting competitive adsorption in water and wastewater treatment. Moreover, the review emphasized the necessity of using advanced statistical methods like Akaike information criterion (AIC) and Bayesian information criterion (BIC) for model comparison and indicated future research directions. This work aimed to enhance readers’ understanding of explicit multicomponent isotherm models and improve the design and optimization of adsorption-based separation processes.
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平衡数据建模的显式多分量等温线模型的最新综述:从基础到应用
本文综述了用于模拟吸附过程平衡数据的显式多组分等温线模型,包括其基本原理和实际应用。强调了多组分吸附的复杂性,并强调了水分子、pH和初始浓度对吸附过程的潜在影响。本文系统地将明确的多分量等温线模型分为预测和相关方法,讨论了它们的基本假设、热力学一致性和实际应用。预测模型仅依赖于单组分等温线参数,但通常不能解释复杂的吸附过程。相比之下,相关模型由于引入了相互作用因素或竞争系数,可以提供更高的拟合质量。回顾了在数据处理、模型选择和参数估计中遇到的常见错误,强调了准确确定等温线数据的重要性。通过一些典型案例说明了这些模型在预测水和废水处理过程中竞争吸附的实际应用。强调了采用Akaike信息准则(AIC)和Bayesian信息准则(BIC)等先进的统计方法进行模型比较的必要性,并指出了未来的研究方向。这项工作旨在提高读者对显式多组分等温线模型的理解,并改进基于吸附的分离过程的设计和优化。
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来源期刊
Separation and Purification Technology
Separation and Purification Technology 工程技术-工程:化工
CiteScore
14.00
自引率
12.80%
发文量
2347
审稿时长
43 days
期刊介绍: Separation and Purification Technology is a premier journal committed to sharing innovative methods for separation and purification in chemical and environmental engineering, encompassing both homogeneous solutions and heterogeneous mixtures. Our scope includes the separation and/or purification of liquids, vapors, and gases, as well as carbon capture and separation techniques. However, it's important to note that methods solely intended for analytical purposes are not within the scope of the journal. Additionally, disciplines such as soil science, polymer science, and metallurgy fall outside the purview of Separation and Purification Technology. Join us in advancing the field of separation and purification methods for sustainable solutions in chemical and environmental engineering.
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