Investigate the effects of Ionic Liquid and metal ions on the swelling and pyrolysis characteristics. The simulation results show that IL can weaken intermolecular hydrogen bond of coal, Magnetic Ionic Liquid has a stronger modification effect after adding Fe ions, and hydrogen bond weakening leads to the improvement of coal swelling degree. After [Bmim]Cl modification, the swelling degree is increased by 17.37% compared with raw coal, and after [Bmim]FeCl treatment, the swelling degree is further improved. Ionic liquid swelling also has a better effect on subsequent pyrolysis of coal samples, the modification effect of [Bmim]FeCl is more significant, which increases by 6.77%. The swelling of MIL significantly reduces the pyrolysis activation energy of coal and thermochemical reaction temperature. On the one hand, the content of heavy groups in pyrolysis products is reduced, and on the other hand, the target of carbon emission reduction can be achieved.

中文翻译：

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铁对离子液体膨胀改性煤热解的影响：实验与模拟


研究离子液体和金属离子对膨胀和热解特性的影响。模拟结果表明，离子液体可以减弱煤分子间氢键，磁性离子液体添加Fe离子后具有更强的改性效果，氢键减弱导致煤膨胀度提高。经过[Bmim]Cl改性后，膨胀度比原煤提高了17.37%，经过[Bmim]FeCl处理后，膨胀度进一步提高。离子液体溶胀对煤样后续热解也有较好的效果，其中[Bmim]FeCl的改性效果更为显着，提高了6.77%。 MIL的溶胀显着降低了煤的热解活化能和热化学反应温度。一方面降低热解产物中重基团的含量，另一方面可以实现碳减排的目标。