81.脱水に伴う褐炭の細孔構造変化

抄録

A computer aided molecular design (CAMD) method was utilized to evaluate the change in the pore size distribution of brown coal along with a progress of moisture release. Removal of water molecules results in a drastic change in the density of cell which contain coal model molecules and water molecules at the final stage of moisture removal. This indicates that the dense conformation of the coal model molecules with water molecules changed to porous one at the final stage of moisture removal. The results appear to represent the characteristics of the brown coal, at least change in the density and pore size distribution along with a progress of moisture release.