The adsorption energy of H~+ on different coal surface, along with correlated chemical bond length, order, and net charge distribution were obtained by means of ZINDO quantum chemical calculation of model compounds.

• 通过对模型化合物的ZINDO量子化学理论计算 ；得到了H+ 在煤表面的吸附能、相关化学键的键级、键长和净电荷分布 .