Hou Quanlin, Han Yuzhen, Wang Jin, Dong Yijing, Pan Jienan
Key Laboratory of Computational Geodynamics, CAS, College of Earth Science, University of Chinese Academy of Sciences, Beijing 100049, China.
Key Laboratory of Computational Geodynamics, CAS, College of Earth Science, University of Chinese Academy of Sciences, Beijing 100049, China.
Sci Bull (Beijing). 2017 Jul 15;62(13):965-970. doi: 10.1016/j.scib.2017.06.004. Epub 2017 Jun 15.
The chemical structure evolution of coal, which is important for understanding coalification and the accompanying volatile and possible oil generation, is generally thought to be influenced by temperature, time and confining pressure. Though evidence concerning the impacts of stress on the chemical structure has accumulated for many years and some hypotheses have been proposed, the mechanism remains controversial. Recent years have seen a breakthrough in mechanochemistry, which proves that stress can act on the molecule directly to initiate or accelerate reactions by deforming the chemical bonds. The progress in mechanochemistry gives researchers incentive to consider how stress works on the chemical structure of coals. Preliminary quantum chemical calculations have been performed on the macromolecule of anthracite to explain the mechanism of gas generation during the deformation experiments at low temperatures. This paper briefly reviews the evidence regarding the impacts of stress on the chemical structure of coals and introduces the recent achievements in the mechanism research. To further investigate this problem, more work should be undertaken by researchers from both geology and quantum chemistry fields.
煤的化学结构演化对于理解煤化作用以及伴随的挥发分和可能的石油生成至关重要，一般认为其受到温度、时间和围压的影响。尽管有关应力对化学结构影响的证据已经积累多年，并且已经提出了一些假说，但该机制仍存在争议。近年来，机械化学取得了突破，证明应力可以直接作用于分子，通过使化学键变形来引发或加速反应。机械化学的进展促使研究人员思考应力如何作用于煤的化学结构。已对无烟煤大分子进行了初步量子化学计算，以解释低温变形实验过程中的产气机制。本文简要回顾了有关应力对煤化学结构影响的证据，并介绍了机制研究的最新成果。为了进一步研究这个问题，地质和量子化学领域的研究人员应开展更多工作。
