【摘要】 选择不同煤阶的煤分子结构模型，结合量子化学方法，对煤分子中各原子的电子云分布进行计算．根据计算结果，分析了高分子在煤粒表面的吸附机理，解释阴离子型高分子在带负电的煤粒表面的吸附原因．更多还原

【Abstract】 The macro-qualities of coal have been explained completely. But its micro-qualities need to be studied. The electric charge distribution on the surface of coal was calculated by means of quantum chemistry. The mechanism that polymers are adsorbed on coal surface is analyzed in detail, which successfully explains why anionic polymers are adsorbed by coal surface with negative charge. Because it uneven electron density in distribution, some area of electron density is thinner on the coal surface. So the active group of polymer could be adsorbed on it by means of van der Wauls and hydrogen bond force.更多还原