聖塔非研究所

分子模擬揭示微孔結構與輕質氣體透過玻璃聚合物薄膜傳輸之間的關係

2025 · 已發表論文 · 更新 2026/08/30 下午12:48

摘要 Microporous glassy polymers are attractive materials for gas separation membranes, due to their high permeability and tailorable selectivity, provided physical aging can be delayed. The a…

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論文資訊

  • 類型:已發表論文
  • 日期:2025

摘要

Microporous glassy polymers are attractive materials for gas separation membranes, due to their high permeability and tailorable selectivity, provided physical aging can be delayed. The archetypal microporous glassy polymer, PTMSP, can be blended with a hyper-crosslinked isatin-triptycene porous polymer 網絡 (PPN) to delay physical aging. However, while PPN is effective at reducing physical aging, it also affects the permeability of light gases through PTMSP. Molecular dynamics simulations were used here to shed fundamental light on the mechanisms responsible for these effects. Atomistic models are developed that satisfactorily reproduce experimental observations such as matrix density and cavity size distributions for neat PTMSP as well as for PTMSP-PPN blends. Analysis of the simulation re

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