CAJ | 학술논문

通过对煤样乙酰化和甲基化处理，屏蔽煤中羟基、羧基等可以形成氢键的官能团，研究煤中非共价键作用对溶胀及直接液化的影响。采用红外分析和热重分析（TG）考察分析了乙酰化和甲基化处理后的煤样。采用体积法测得原煤和处理后煤样在一系列非极性溶剂、可形成氢键溶剂中的溶胀比。在管弹反应器中进行液化实验，考察乙酰化和甲基化处理对直接液化的影响。采用 Chem3D 软件对原煤分子、乙酰化煤分子和甲基化煤分子结构的分子动力学进行了模拟计算。
통과대매양을선화화갑기화처리，병폐매중간기、최기등가이형성경건적관능단，연구매중비공개건작용대용창급직접액화적영향。채용홍외분석화열중분석（TG）고찰분석료을선화화갑기화처리후적매양。채용체적법측득원매화처리후매양재일계렬비겁성용제、가형성경건용제중적용창비。재관탄반응기중진행액화실험，고찰을선화화갑기화처리대직접액화적영향。채용 Chem3D 연건대원매분자、을선화매분자화갑기화매분자결구적분자동역학진행료모의계산。
The coal was processed by acetylation and methylation to reduce the formation of hydrogen bonds. The effects of coal non-covalent on the swelling and liquefaction were studied. The treated coal samples were analyzed by Infrared and TG. The swelling ratios of coal samples in a series of non-polar solvents and polar solvents were measured by the volume measurement. Liquefaction ex-periments were operated in a pipe bomb reactor. Chem3D software was used to simulate the molecular dynamics of the raw coal mole-cules,acetylation and methylation.