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首页> 外文期刊>RSC Advances >Mechanisms into dehydroaromatization of bio-derived limonene to p-cymene over Pd/HZSM-5 in the presence and absence of H2
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Mechanisms into dehydroaromatization of bio-derived limonene to p-cymene over Pd/HZSM-5 in the presence and absence of H2

机译：在存在和不存在H2的存在下，在Pd / HzSM-5上对生物衍生的柠檬烯至p-cymene的脱氢致氢化的机制

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摘要

The mechanisms of dehydroaromatization of limonene to p -cymene are intrinsically investigated over Pd/HZSM-5 under different N _(2) /H _(2) atmospheres using the mathematical tool of Matlab. It is found that the dehydroaromatization reaction network starts with the isomerization step, and is followed by the sequential dehydrogenation in the presence of N _(2) or H _(2) at the selected system. The addition of hydrogen in the atmosphere would not change this reaction pathway, but leads to lower selectivity of p -cymene due to the accelerated hydrogenation rates on the double bonds. Besides, the additional hydrogen speeds up the overall reaction by facilitating the isomerization step on limonene while impeding its reverse reaction, as isomerization of limonene is proved to be the determining step of the whole dehydroaromatization reaction. Furthermore, the presence of hydrogen dramatically decreases the apparent and true activity energy of the target dehydroaromatization reaction and reduces the impact of temperatures to such processes compared to that with a N _(2) gas carrier.
机译：利用MATLAB的数学工具，在不同的N _（2）/ h _（2）型大气下，在Pd / HzSM-5下脱氢至p-CYMENE的脱氢至p-CYMENE的机制。结果发现脱氢致反应网络以异构化步骤开始，然后在所选系统的N _（2）或H _（2）存在下序列脱氢。在大气中加入氢不会改变该反应途径，而是由于双键的加速氢化速率导致p-cymene的选择性降低。此外，通过促进裂解的同时促进其逆转反应的异构化步骤，额外的氢气加速整体反应，因为柠檬烯的异构化被证明是整个脱氢致反应的确定步骤。此外，与用N _（2）气体载体相比，氢的存在显着降低了靶脱氢致反应的表观和真实活性，并降低了温度与这些方法的影响。

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