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A molecular level based parametric study of transport behavior in different polymer composite membranes for water vapor separation

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  • Liu, Yilin
  • Cui, Xin
  • Yan, Weichao
  • Wang, Jiawei
  • Su, Jincai
  • Jin, Liwen

Abstract

The membrane dehumidification technology has great energy-saving potential compared to traditional methods. However, the design of composite membrane depends mostly on trial tests. To understand the mechanisms dominating material properties and quantitatively predict the air dehumidification performance of the composite membranes in practical applications, various models combined with different polymeric materials and porous support membranes were developed and investigated by using grand canonical Monte Carlo (GCMC) and Molecular dynamics (MD) simulation methods. The interfacial interactions between the selective layer and the support membrane were analyzed in detail to explore the interface stability and compatibility of various composite membranes. The physical characteristics (density, fractional free volume, solubility parameter and cohesive energy density) and transport properties (solubility, diffusivity, permeability and selectivity) of various composite membranes were parametrically evaluated. The polydimethylsiloxane (PDMS) composite membranes exhibited stronger interfacial interaction in comparison to the PVA composite membranes. The hydrophilicity and polarity of polyvinyl alcohol (PVA) polymer resulted in a stronger interaction between the gas molecules and the PVA membrane. According to the solution–diffusion mechanism, the PVA-PVDF membrane presented the optimal H2O permeability of 3121.38 Barrer among all composite membranes. Generally, polyvinylidene fluoride (PVDF) or polyacrylonitrile (PAN) as the materials of support membrane had good fiber forming characteristics and low gas diffusion resistance, which significantly affects the performance of selective layers. The microscopic mechanisms revealed in this work would lay a solid theoretical foundation for the design of high performance composite membrane for air dehumidification.

Suggested Citation

  • Liu, Yilin & Cui, Xin & Yan, Weichao & Wang, Jiawei & Su, Jincai & Jin, Liwen, 2022. "A molecular level based parametric study of transport behavior in different polymer composite membranes for water vapor separation," Applied Energy, Elsevier, vol. 326(C).
    • Handle: RePEc:eee:appene:v:326:y:2022:i:c:s0306261922012648
    DOI: 10.1016/j.apenergy.2022.120007
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    References listed on IDEAS

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    1. Li, Xue & Chung, Tai-Shung, 2014. "Thin-film composite P84 co-polyimide hollow fiber membranes for osmotic power generation," Applied Energy, Elsevier, vol. 114(C), pages 600-610.
    2. Wang, Rujie & Yang, Yuying & Wang, Mengfan & Lin, Jinshan & Zhang, Shihan & An, Shanlong & Wang, Lidong, 2021. "Energy efficient diethylenetriamine–1-propanol biphasic solvent for CO2 capture: Experimental and theoretical study," Applied Energy, Elsevier, vol. 290(C).
    3. Nie, Xianhua & Du, Zhenyu & Zhao, Li & Deng, Shuai & Zhang, Yue, 2019. "Molecular dynamics study on transport properties of supercritical working fluids: Literature review and case study," Applied Energy, Elsevier, vol. 250(C), pages 63-80.
    4. Yu, Yinsheng & Zhao, Chenyang & Tao, Yubing & Chen, Xi & He, Ya-Ling, 2021. "Superior thermal energy storage performance of NaCl-SWCNT composite phase change materials: A molecular dynamics approach," Applied Energy, Elsevier, vol. 290(C).
    5. Roger J. Francey & Cathy M. Trudinger & Marcel van der Schoot & Rachel M. Law & Paul B. Krummel & Ray L. Langenfelds & L. Paul Steele & Colin E. Allison & Ann R. Stavert & Robert J. Andres & Christian, 2013. "Reply to 'Anthropogenic CO2 emissions'," Nature Climate Change, Nature, vol. 3(7), pages 604-604, July.
    6. Bui, D.T. & Vivekh, P. & Islam, M.R. & Chua, K.J., 2022. "Studying the characteristics and energy performance of a composite hollow membrane for air dehumidification," Applied Energy, Elsevier, vol. 306(PB).
    7. Ding, Jing & Pan, Gechuanqi & Du, Lichan & Lu, Jianfeng & Wang, Weilong & Wei, Xiaolan & Li, Jiang, 2018. "Molecular dynamics simulations of the local structures and transport properties of Na2CO3 and K2CO3," Applied Energy, Elsevier, vol. 227(C), pages 555-563.
    8. Andrés-Mañas, J.A. & Roca, L. & Ruiz-Aguirre, A. & Acién, F.G. & Gil, J.D. & Zaragoza, G., 2020. "Application of solar energy to seawater desalination in a pilot system based on vacuum multi-effect membrane distillation," Applied Energy, Elsevier, vol. 258(C).
    9. Shahzad, Muhammad Wakil & Thu, Kyaw & Kim, Yong-deuk & Ng, Kim Choon, 2015. "An experimental investigation on MEDAD hybrid desalination cycle," Applied Energy, Elsevier, vol. 148(C), pages 273-281.
    10. Pineda-Delgado, J.L. & Chávez-Ramirez, A.U. & Gutierrez B, Cynthia K. & Rivas, S. & Marisela, Cruz-Ramírez & de Jesús Hernández-Cortes, Ramiro & Menchaca-Rivera, J.A. & Pérez-Robles, J.F., 2022. "Effect of relative humidity and temperature on the performance of an electrochemical hydrogen compressor," Applied Energy, Elsevier, vol. 311(C).
    11. Pang, Ruizhi & Han, Yang & Chen, Kai K. & Yang, Yutong & Ho, W.S. Winston, 2022. "Matrimid substrates with bicontinuous surface and macrovoids in the bulk: A nearly ideal substrate for composite membranes in CO2 capture," Applied Energy, Elsevier, vol. 311(C).
    12. Ding, Jing & Du, Lichan & Pan, Gechuanqi & Lu, Jianfeng & Wei, Xiaolan & Li, Jiang & Wang, Weilong & Yan, Jinyue, 2018. "Molecular dynamics simulations of the local structures and thermodynamic properties on molten alkali carbonate K2CO3," Applied Energy, Elsevier, vol. 220(C), pages 536-544.
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