| 煤表面与高分子作用机理的量子化学研究 |
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| 引用本文： | 张景来. 煤表面与高分子作用机理的量子化学研究[J]. 北京科技大学学报, 2001, 23(1): 6-8 |
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| 作者姓名： | 张景来 |
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| 作者单位： | 北京科技大学资源学院, |
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| 基金项目： | 国家科技攻关项目;95-215-01-04; |
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| 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去分布进行计算，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。
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| 关 键 词： | 煤 分子结构 量子化学 高分子 吸附机理 电子云分布 电子云密度 PM3方法 |
| 修稿时间： | 2000-01-21 |
Quantum Chemistry Study of Effect Mechanism of Polymer on Coal Surface |
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| ZHANG Jinglai. Quantum Chemistry Study of Effect Mechanism of Polymer on Coal Surface[J]. Journal of University of Science and Technology Beijing, 2001, 23(1): 6-8 |
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| Authors: | ZHANG Jinglai |
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| 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. |
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| Keywords: | coal molecular structure quantum chemistry polymer adsorption. |
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