Context: Coal water slurry (CWS) is a new type of liquid coal product with low pollution, which is mainly used in the chemical industry to produce syngas (CO + H). It is of great significance to study the microscopic mechanism of CWS gasification reaction for improving the efficiency of coal gasification. In this paper, the method of molecular dynamics based on reaction force fields (ReaxFF-MD) is used to study the gasification process of CWS/O system at different temperatures.
View Article and Find Full Text PDFCavitation has been the subject of abundant studies, but the internal mechanism of cavitation is less well known. In this article, a microlevel near-wall model was established by using LAMMPS to present the process of cavitation effect. The results of molecular dynamics simulation revealed the fluctuation process of the liquid near the wall with the change in pressure.
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