Two different kinetic models were developed for the kinetic study of Domanic oil shale conversion in the supercritical water. The oil shale reaction order was evaluated with a three-lump reaction scheme taking into account oil shale, gases, and synthetic oil. Contrary to the commonly reported first-order, it was found that a higher order (2.5) is more suitable for the conversion of oil shale at supercritical water conditions. The main reaction mechanism and predictions were obtained using a more detailed reaction network (five-lump model), which precisely estimates the experimental yield of all compounds contemplated. The statistical analysis suggested that the estimated kinetic parameters were suitably optimized, as well as the sensitivity analysis confirmed that these are the optimal values. The conversion of organic matter into gas and coke through free radical reactions exhibits larger rates using supercritical water. Low temperature (380 °C) and short reaction times favor the yield of synthetic oil because when these conditions are exceeded secondary cracking reactions provoke the generation of gases. Gas production is mainly carried out by the conversion of organic matter for brief reaction times and the transformation of carbonates for extended periods.

中文翻译：

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超临界水条件下 Domanic 油页岩提质反应级数和动力学建模评价


为超临界水中 Domanic 油页岩转化的动力学研究开发了两种不同的动力学模型。油页岩反应顺序采用三块反应方案进行评估，同时考虑了油页岩、天然气和合成油。与通常报道的一阶相反，发现更高阶 （2.5） 更适合在超临界水条件下转化油页岩。主要反应机理和预测是使用更详细的反应网络（五块模型）获得的，该网络精确估计了所有考虑的化合物的实验产率。统计分析表明，估计的动力学参数得到了适当的优化，敏感性分析证实这些是最佳值。使用超临界水，通过自由基反应将有机物转化为气体和焦炭的速率更大。低温 （380 °C） 和短反应时间有利于合成油的产量，因为当超过这些条件时，二次裂解反应会引发气体的产生。气体生产主要是通过有机物的短暂反应转化和碳酸盐的长时间转化来实现的。