| 1.4-丁炔二醇在汞电极上的吸附特性 |
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| 引用本文： | 黄树坤,刘强,张航波,谢乃贤. 1.4-丁炔二醇在汞电极上的吸附特性[J]. 湖南师范大学自然科学学报, 1993, 0(4) |
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| 作者姓名： | 黄树坤 刘强 张航波 谢乃贤 |
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| 作者单位： | 湖南大学化学化工系，佳能珠海有限公司，株州电力机车厂，湖南大学化学化工系 |
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| 摘 要： | 用半经验的自洽场分子轨道法(CNDO/2)与电毛细曲线、微分电容曲线研究了1.4丁炔二醇在汞电极上的吸附特性.分子中原子的电荷分布表明它以平卧方式吸附于电极表面,有顺式与反式两种构型物同时存在于吸附层中,吸附本质上是一种物理吸附作用,其吸附服从Frumkin吸附等温式,吸附自由能与吸附分子间作用系数皆同电位有二次函数关系.
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| 关 键 词： | 吸附 1.4-丁炔二醇 SCFMO(CNDO/2)法 |
Studies for Adsorption of 1. 4-Butynediol at DME/Solution |
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| Huang Shukun Liu Qiang Zhang Hangbo Xie Laixian. Studies for Adsorption of 1. 4-Butynediol at DME/Solution[J]. Journal of Natural Science of Hunan Normal University, 1993, 0(4) |
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| Authors: | Huang Shukun Liu Qiang Zhang Hangbo Xie Laixian |
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| Affiliation: | Department of Chemistry and Chemical Engineering |
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| Abstract: | The adsorption characteristics of 1. 4-butynediol at dropping mercury electrode (DME) were studied by electrocapillary curves, differential capacity curves and semiempirical SCFMO method (CNDO/2). The atomic charge distribution in the molecule supports its horizontal orientation at the electrode. Cis and trans-conformations are simultaneously present in the adsorption layer. Its adsorption was basically ascribed to physical forces. Frumkin isotherm has been put forward and a quadratic dependence on the potential for Gibbs free energy and interaction coefficient between adsorbed molecules has also been shown in the given system. |
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| Keywords: | adsorption 1. 4-butynediol SCFMO(CNDO/2) method |
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