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RELATIONSHIP BETWEEN SURFACE POTENTIAL AND FUNCTIONAL GROUPS OF COALS
Author(s): WANG Baojun, LI Min, ZHAO Qingyan, QIN Yuhong, XIE Kechang
Pages: 1329-
1334
Year: 2004
Issue:
8
Journal: JOURNAL OF CHEMICAL INDUSTRY AND ENGINEERING(CHINA)
Keyword: 煤; ζ电位; ZINDO; 表面; 氧化; 等电点; 氢离子;
Abstract: 测定了5种不同变质程度的典型中国动力煤在不同pH值的水介质中的ζ电位和用H2O2氧化后各煤种ζ电位的变化,得到了ζ电位等电点pH值;用FTIR定量表征了与煤表面电位有关的官能团以及被H2O2氧化后的变化;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.综合分析实验和计算的结果,确认了在水体系中煤的表面电荷为负电荷;煤的ζ电位等电点随煤化程度的提高有规律地升高;与煤表面ζ电位密切相关的负电性官能团主要是-OH基团;原煤经H2O2氧化后,-OH、C=O和-COOH等官能团增多,煤表面负电性增加;H+在煤表面发生化学吸附,吸附能随着煤化程度的增加而增加.
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