Research Progress in Mechanism of Oil Shale Pyrolysis
The characteristics of experimental methods,molecular simulation methods and the research progress in oil shale pyrolysis mechanism were reviewed in view of the complexity of the oil shale pyrolysis process.It includes a variety of experimental detection techniques in the process of oil shale pyrolysis,the application of quantum chemical methods to the bond formation sequence,migration paths of heteroatoms during pyrolysis,microscopic reaction paths obtained by classical and reactive molecular dynamics methods in the process of pyrolysis,and the mechanism of additive influence on pyrolysis.The application of experimental means and molecular simulation techniques to the pyrolysis of oil shale kerogen was also prospected,and it was considered that there is a need to find more advanced experimental techniques that can detect the free radicals in the process of kerogen pyrolysis in real time,and to build a widely representative molecular model of oil shale is a topic that needs to be focused on.And the ReaxFF MD method is also considered as a promising method to study the micromechanics of the pyrolysis of kerogen.At last,its further research directions were pointed out.
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