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根据煤结构的不均匀性及煤液化中包含大量串联和并联反应的事实,提出了一模拟煤液化的数学模型。该模型把液化过程处理为两组不可逆反应的串联(即煤裂解生成沥青烯和前沥青烯;沥青烯和前沥青烯生成油),其中每组都包含一系列不同组分的平行反应,从理论上可认为这些反应的活化能服从高斯分布。这一模型能较好地描述同一煤中各组分液化难易程度的不同,也合理地解释了煤液化中表现反应活化能随转化率增加而上升的现象。由此得到的理论值不仅和实验数据一致,也和文献值较好符合。
According to the heterogeneity of coal structure and the fact that coal liquefaction contains a large number of series and parallel reactions, a mathematical model of coal liquefaction is proposed. The model treats the liquefaction process as a series of two irreversible reactions (ie coal cracking to produce asphaltenes and pro-asphaltenes; asphaltenes and pro-asphaltenes), each of which contains a series of parallel reactions of different components from Theoretically, the activation of these reactions can be assumed to follow the Gaussian distribution. This model can well describe the difference in ease of liquefaction of components in the same coal, and also reasonably explain the phenomenon that the activation energy of coal liquefaction increases with the conversion rate. The theoretical value obtained is not only consistent with the experimental data, but also with the literature value better.