Mofs for deep dehydration of ethylene: Screening, design and process simulation

IF 8.1 1区工程技术 Q1 ENGINEERING, CHEMICAL

Separation and Purification Technology Pub Date : 2025-02-03 DOI:10.1016/j.seppur.2025.131920

Yifei Chen, Xiao Wang, Yanan Zhu, Hao Gong

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引用次数: 0

Abstract

Ethylene (C₂H₄) purification is a critical step in various industrial processes. In particular, during the ethanol dehydration process to produce ethylene, efficient removal of water is essential to prevent blockages in the low-temperature distillation systems used for ethylene separation. In this study, we utilized the Grand Canonical Monte Carlo (GCMC) method to calculate the adsorption and separation behaviors of ethylene/water in 508 types of MOFs from the CoRE MOFs database. Among them, the LEGGIO was identified as a promising adsorbent due to its simple synthesis process and high water adsorption capacity, which was found to be 16.19 mol/kg. Based on LEGGIO, we explored the impact of functional group modification on the water adsorption performance. The results show that the introduction of hydrophilic N sites enhances the interaction between water and the material, thereby leading to an increase in the saturated water adsorption capacity of the modified LEGGIO-N. The temperature and pressure swing adsorption process with LEGGIO-N as adsorbent was further built. Under the optimal process conditions, the H₂O concentration at the outlet is less than 1 ppm, which satisfies the purity requirements for industrial ethylene production.

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来源期刊

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.