Journal
FUEL
Volume 316, Issue -, Pages -Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2022.123392
Keywords
Kerogen; Molecular simulation; Molecular structure; Physical/chemical processes
Categories
Funding
- National Natural Science Foundation of China [21875255]
- China Scholarship Council (CSC) [201806430026]
Ask authors/readers for more resources
This paper introduces the basic knowledge and applications of molecular simulation in analyzing kerogen, and reviews the molecular simulation studies of kerogen's structure, geological processes, interactions with minerals and shale gases, and pyrolysis. Future research directions are also proposed.
ABS T R A C T Kerogen is the most abundant source of natural organic matter in the world, and the research of kerogen to promote its utilization is of great significance to the development of unconventional fossil energy. Molecular simulation is a research method that is extremely suitable for investigating the detailed characteristics and physical/chemical processes of kerogen at atomic level. This work introduces some basic knowledge of molecular simulation that is useful in analyzing kerogen. We also review the molecular simulation studies of kerogen's structure, geological processes, interactions with minerals and shale gases, and pyrolysis. For each research application of molecular simulation on kerogen, directions for future research are proposed.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available