主催: 日本エネルギー学会, 石炭科学部会, コークス工学研究部会, 重質油部会
共催: 日本学術振興会 石炭・炭素資源利用技術第148委員会, 化学工学会 エネルギー部会
会議名: 第56回石炭科学会議
回次: 56
開催地: ウィンクあいち
開催日: 2019/10/29 - 2019/10/30
p. 66-67
It has been reported that addition of organic compounds to a caking coal affected coal dilatation. However, the effects of organic compounds on coal dilatation has not been studied at the molecular level. In this presentation, the density of model coal structure with the various organic compounds were calculated using a molecular dynamics simulation. As a result, the simulation showed that the organic compounds added to the caking coal reduced the density of model coal structure. Furthermore, it was confirmed that there was a good correlation between the calculation results and the experimental results.
