Experimental and molecular simulation study of a novel benzimidazole-linked polymer membrane for efficient H2/CO2 separation

Shaofan Duan; Dongyang Li; Xiujie Yang; Chenchao Niu; Shaohui Sun; Xuezhong He; Meixia Shan; Yatao Zhang

doi:10.1016/j.memsci.2023.121396

Experimental and molecular simulation study of a novel benzimidazole-linked polymer membrane for efficient H2/CO2 separation

Shaofan Duan, Dongyang Li, Xiujie Yang, Chenchao Niu, Shaohui Sun, Xuezhong He, Meixia Shan^*, Yatao Zhang^*

^*Corresponding author for this work

Chemical Engineering

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

Developing novel materials for membrane separation is extremely crucial. Benzimidazole-linked polymers (BILPs) show great potential for H2 purification due to their high thermal and chemical stability, while only a few BILPs have been used for membrane-based gas separation. In this work, the BILP-5 composite membranes were prepared via a facile interfacial polymerization. Dense and smooth BILP-5 composite membranes were prepared on α-Al2O3 support and characterized by scanning electron microscope (SEM) and atomic force microscope (AFM). The effects of interfacial polymerization reaction duration, temperature, and pressure on the gas separation performance of BILP-5 membranes were systematically investigated. The resultant BILP-5 membrane shows good stability and a high H2/CO2 selectivity of 16 with a H2 permeance of 362 GPU under mixed gas test at room temperature, which exceeds the 2008 upper bound. Furthermore, the H2/CO2 separation mechanism of BILP-5 membranes was investigated through molecular dynamics simulations. Coupled with the merits of simple preparation, good stability, and excellent gas separation performance, BILP-5 is expected to be one of the most promising membrane materials for H2/CO2 separation.

Original language	English
Journal	Journal of Membrane Science
DOIs	https://doi.org/10.1016/j.memsci.2023.121396
State	Published - 5 Apr 2023

Keywords

BILP-5 membrane
Interfacial polymerization
H2/CO2 separation
Molecular dynamics simulation

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10.1016/j.memsci.2023.121396

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@article{42bd2858d1064cb1bf7e449eeeca5036,

title = "Experimental and molecular simulation study of a novel benzimidazole-linked polymer membrane for efficient H2/CO2 separation",

abstract = "Developing novel materials for membrane separation is extremely crucial. Benzimidazole-linked polymers (BILPs) show great potential for H2 purification due to their high thermal and chemical stability, while only a few BILPs have been used for membrane-based gas separation. In this work, the BILP-5 composite membranes were prepared via a facile interfacial polymerization. Dense and smooth BILP-5 composite membranes were prepared on α-Al2O3 support and characterized by scanning electron microscope (SEM) and atomic force microscope (AFM). The effects of interfacial polymerization reaction duration, temperature, and pressure on the gas separation performance of BILP-5 membranes were systematically investigated. The resultant BILP-5 membrane shows good stability and a high H2/CO2 selectivity of 16 with a H2 permeance of 362 GPU under mixed gas test at room temperature, which exceeds the 2008 upper bound. Furthermore, the H2/CO2 separation mechanism of BILP-5 membranes was investigated through molecular dynamics simulations. Coupled with the merits of simple preparation, good stability, and excellent gas separation performance, BILP-5 is expected to be one of the most promising membrane materials for H2/CO2 separation.",

keywords = "BILP-5 membrane, Interfacial polymerization, H2/CO2 separation, Molecular dynamics simulation",

author = "Shaofan Duan and Dongyang Li and Xiujie Yang and Chenchao Niu and Shaohui Sun and Xuezhong He and Meixia Shan and Yatao Zhang",

year = "2023",

month = apr,

day = "5",

doi = "10.1016/j.memsci.2023.121396",

language = "英语",

journal = "Journal of Membrane Science",

issn = "0376-7388",

publisher = "Elsevier",

}

TY - JOUR

T1 - Experimental and molecular simulation study of a novel benzimidazole-linked polymer membrane for efficient H2/CO2 separation

AU - Duan, Shaofan

AU - Li, Dongyang

AU - Yang, Xiujie

AU - Niu, Chenchao

AU - Sun, Shaohui

AU - He, Xuezhong

AU - Shan, Meixia

AU - Zhang, Yatao

PY - 2023/4/5

Y1 - 2023/4/5

N2 - Developing novel materials for membrane separation is extremely crucial. Benzimidazole-linked polymers (BILPs) show great potential for H2 purification due to their high thermal and chemical stability, while only a few BILPs have been used for membrane-based gas separation. In this work, the BILP-5 composite membranes were prepared via a facile interfacial polymerization. Dense and smooth BILP-5 composite membranes were prepared on α-Al2O3 support and characterized by scanning electron microscope (SEM) and atomic force microscope (AFM). The effects of interfacial polymerization reaction duration, temperature, and pressure on the gas separation performance of BILP-5 membranes were systematically investigated. The resultant BILP-5 membrane shows good stability and a high H2/CO2 selectivity of 16 with a H2 permeance of 362 GPU under mixed gas test at room temperature, which exceeds the 2008 upper bound. Furthermore, the H2/CO2 separation mechanism of BILP-5 membranes was investigated through molecular dynamics simulations. Coupled with the merits of simple preparation, good stability, and excellent gas separation performance, BILP-5 is expected to be one of the most promising membrane materials for H2/CO2 separation.

AB - Developing novel materials for membrane separation is extremely crucial. Benzimidazole-linked polymers (BILPs) show great potential for H2 purification due to their high thermal and chemical stability, while only a few BILPs have been used for membrane-based gas separation. In this work, the BILP-5 composite membranes were prepared via a facile interfacial polymerization. Dense and smooth BILP-5 composite membranes were prepared on α-Al2O3 support and characterized by scanning electron microscope (SEM) and atomic force microscope (AFM). The effects of interfacial polymerization reaction duration, temperature, and pressure on the gas separation performance of BILP-5 membranes were systematically investigated. The resultant BILP-5 membrane shows good stability and a high H2/CO2 selectivity of 16 with a H2 permeance of 362 GPU under mixed gas test at room temperature, which exceeds the 2008 upper bound. Furthermore, the H2/CO2 separation mechanism of BILP-5 membranes was investigated through molecular dynamics simulations. Coupled with the merits of simple preparation, good stability, and excellent gas separation performance, BILP-5 is expected to be one of the most promising membrane materials for H2/CO2 separation.

KW - BILP-5 membrane

KW - Interfacial polymerization

KW - H2/CO2 separation

KW - Molecular dynamics simulation

U2 - 10.1016/j.memsci.2023.121396

DO - 10.1016/j.memsci.2023.121396

M3 - 文章

SN - 0376-7388

JO - Journal of Membrane Science

JF - Journal of Membrane Science

ER -

Experimental and molecular simulation study of a novel benzimidazole-linked polymer membrane for efficient H2/CO2 separation

Abstract

Keywords

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