【摘要】：絕緣紙高溫裂解時有大量水分生成,為從微觀層面研究水分子生成機制及其對絕緣紙的破壞作用,首先以絕緣紙纖維素鏈的結(jié)構(gòu)單元纖維二糖(Cellobiose)為研究對象,結(jié)合Reax FF反應(yīng)分子動力學(xué)模擬方法(Reax FF-MD),模擬絕緣紙高溫裂解過程,發(fā)現(xiàn)裂解時有大量水分子產(chǎn)生,且水分子數(shù)量呈遞增趨勢,個別時間區(qū)間內(nèi)水分子數(shù)量波動明顯,存在水分子的消失及再生現(xiàn)象。因不同位置的O原子的活性存在差異,奪H脫H_2O反應(yīng)分三種情況,即仲醇羥基奪H脫H_2O、醚基O原子奪H脫H_2O和伯醇羥基奪H脫H_2O。最后利用分子動力學(xué)模擬水分對纖維素鏈的破壞作用,發(fā)現(xiàn)水分子在纖維素鏈間自由空隙中局部運動,并與纖維素鏈上的羥基和醚基O原子結(jié)合氫鍵,既束縛水分子的運動,又破壞纖維素自身的氫鍵網(wǎng)絡(luò)。模擬結(jié)果和實際實驗結(jié)論相一致,可為變壓器過熱故障分析提供借鑒,表明利用分子模擬方法研究絕緣高分子材料老化微觀過程及改性研究是一種行之有效的方法。
[Abstract]:In order to study the mechanism of water molecule formation and its damage to insulator paper at high temperature, the structure unit fiber disaccharide (Cellobiose) of cellulose chain of insulator paper is taken as the research object in order to study the mechanism of water molecule formation and its destructive effect on insulator paper at high temperature. In combination with the Reax FF reaction molecular dynamics simulation (Reax FF-MD), it was found that a large number of water molecules were produced in the process of high temperature pyrolysis of insulator paper, and the number of water molecules showed an increasing trend, and the number of water molecules fluctuated obviously in a certain time range. Water molecules disappear and regenerate. Because of the difference in the activity of O atoms in different positions, there are three kinds of H _ 2O removal reactions: secondary alcohol hydroxyl H _ 2O desorption of H _ 2O, ether-based O atom H _ 2O _ (2) desorption of H _ 2O _ 2 and primary alcohol hydroxyl H _ 2O _ 2 _ H _ 2O _ 2. Finally, using molecular dynamics to simulate the destruction of cellulose chain by water, it is found that water molecules move locally in the free space between cellulose chains, and bind to hydroxyl and ether O atoms in cellulose chain, which can bind the movement of water molecules. It also destroys the hydrogen bond network of cellulose itself. The simulation results are consistent with the experimental results and can be used for reference in the analysis of transformer overheating faults. It is shown that the molecular simulation method is an effective method to study the aging microprocess and modification of insulating polymer materials.
【作者單位】： 山東大學(xué)電氣工程學(xué)院;
【基金】：國家自然科學(xué)基金項目(51407110、51677110)~~
【分類號】：TM215.6

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