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聚氧化乙烯光降解行為的研究與模擬

Study and Simulation of the Photodegradation of Polyethylene Oxide

  • 摘要: 采用凝膠滲透色譜(GPC)和計算模擬研究了聚氧化乙烯(PEO)水溶液在溫度為20~40 ℃時的光降解行為🛶,考察了分子鏈平均斷裂次數與每g PEO分子鏈斷裂次數隨輻照時間的變化🌭,建立了數均分子量隨輻照時間的變化與降解速率常數之間的關系式🖥,並通過Python軟件模擬分子鏈斷裂過程。結果表明👩‍👩‍👧:分子鏈平均斷裂次數與每g PEO分子鏈斷裂次數均隨溫度升高而增多🧑🏼‍🚒,與輻照時間呈線性關系。PEO水溶液降解過程活化能為19.8 kJ/mol。隨機降解分子量分布系數不隨時間發生變化,中間降解分子量分布系數隨時間變化逐漸降低。與GPC測試結果對比,表明PEO降解符合中間降解機理。

     

    Abstract: The photodegradation behavior of poly(ethylene oxide) (PEO) aqueous solution from 20 ℃ to 40 ℃ was studied by Gel permeation chromatograph (GPC) and computational simulation. The number of average chain scission and the number of scission events per gram of irradiation time was investigated. The relationship between the change of number average molecular weight with irradiation time and the degradation rate constant was established. The process of molecular chain scission was simulated by Python. The results show that the number of average chain scission and the number of scission events per gram increases with temperature increase, and showed a linear relationship with irradiation time. The activation energy of PEO degradation in aqueous solution is 19.8 kJ/mol. The Polymer dispersity index (PDI) of random chain scission did not change with time, but the PDI of intermediate chain scission decreased with the time. Compared with GPC results indicates that PEO photodegradation accords with the intermediate chain scission mechanism.

     

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