氣體分離程序中薄膜動態模式與結構穩定性：結合模擬與實驗探討(1/3)

Membrane technology is crucial in reducing the energy-intensive separation processes widely used in industry. Current research mainly focuses on the synthesis of various membrane formats, including the novel mixed-matrix membrane, followed by materials characterization and gas permeation and separation performance. The dynamic effects of gas transport on the membrane itself is rarely discussed, in large part due to the difficulty in measuring such properties during operation. This project proposes using in situ XRD and IR spectroscopy, coupled with multiscale modeling, to observe and calculate such changes including swelling or compression, aging, and filler-polymer interaction such as penetration, rigidification, or formation of voids. Peak shifts in XRD patterns are evident from our own studies, and is published in literature with minimal in-depth discussion, and using in situ synchrotron studies with custom built PMMA chambers can provide detailed and dynamic information on structural changes to both filler and membrane during solution and diffusion of gas molecules. Likewise, in situ FTIR can describe changes in functional groups found in the membrane upon interaction with incoming gas species. Defective fillers will be systematically synthesized to create membranes with varying degrees of voids to provide ideal samples for study. With the help of simulation methods including atomistic simulation DFT and molecular simulation techniques such as molecular dynamics and Monte Carlo method, structural changes observed in direct experimental measurements can be coupled with simulation results to provide a complete picture of the dynamic structural changes in membranes experiencing gas permeation.