The thermal behaviours of pure pyrite, pyrite in coal and in situ formed Fe–S compounds under reductive atmospheres were studied over a wide temperature range (room temperature to 1050 °C), using a thermogravimetric analyser (TGA), temperature-programmed reduction coupled with online mass spectrometry (TPR–MS), X-ray diffraction (XRD) and scanning electron microscope equipped with an energy-dispersive X-ray spectrometer (SEM–EDS). The results suggest that the inherent hydrogen and oxygen in coal can promote the decomposition of pyrite at low temperature, while external H₂ plays a principal role in sulfur removal in the hydropyrolysis (HyPy) of coal, where only very little pyrite in demineralized Yanzhou coal (YZ-Dem) is transformed to new organic sulfur forms, and the Fe–S compounds produced in the final products are thermally stable. In contrast, ferric iron can accelerate organic sulfur elimination in complex ways, and complete conversion from in situ formed Fe–S or Fe–C compounds to elemental iron occurs under a H₂ atmosphere.

使用热重分析仪（TGA），通过程序升温还原耦合，在宽温度范围（室温至1050°C）下研究了纯黄铁矿，煤中的黄铁矿和原位形成的Fe-S化合物在还原气氛下的热行为。在线质谱仪（TPR–MS），X射线衍射（XRD）和配有能量色散X射线光谱仪（SEM–EDS）的扫描电子显微镜。结果表明，煤中固有的氢和氧可以促进低温下黄铁矿的分解，而外部H ₂在煤的加氢热解（HyPy）中，硫的去除起主要作用，Yan州脱矿煤（YZ-Dem）中只有很少的黄铁矿转化为新的有机硫形式，最终产物中生成的Fe–S化合物为热稳定的。相比之下，三价铁可以以复杂的方式加速有机硫的消除，并且在H ₂气氛下会发生从原位形成的Fe–S或Fe–C化合物向元素铁的完全转化。