| 平行硬壁间荷电硬球流体的密度泛函理论研究 |
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| 引用本文： | 康艳霜,王海军. 平行硬壁间荷电硬球流体的密度泛函理论研究[J]. 高等学校化学学报, 2009, 30(5): 1001-1004 |
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| 作者姓名： | 康艳霜 王海军 |
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| 作者单位： | 河北大学化学与环境科学学院,保定,071002;河北农业大学理学院,保定,071001;河北大学教育部药物化学与分子诊断重点实验室,保定,071002;河北大学化学与环境科学学院,保定,071002;中国科学院国际材料物理中心,沈阳,110016;河北大学教育部药物化学与分子诊断重点实验室,保定,071002 |
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| 基金项目： | 国家自然科学基金，河北省自然科学基金 |
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| 摘 要： | 基于经典流体的密度泛函理论并结合改进的基本度量理论, 研究了受限于平行硬壁间的荷电硬球流体的平衡密度分布. 通过对比有、无外电场时分子数密度分布的相应变化情况, 分析了荷电硬球分子间的库仑排斥势能与场致势能间的竞争作用, 研究了电场对于受限荷电硬球流体系统聚集态结构的影响.
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| 关 键 词： | 密度泛函理论 荷电硬球流体 基本度量理论 |
| 收稿时间： | 2008-04-16 |
Density Functional Theory on the Charged Hard-sphere Fluid Confined in Parallel Plates |
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| KANG Yan-Shuang,WANG Hai-Jun. Density Functional Theory on the Charged Hard-sphere Fluid Confined in Parallel Plates[J]. Chemical Research In Chinese Universities, 2009, 30(5): 1001-1004 |
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| Authors: | KANG Yan-Shuang WANG Hai-Jun |
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| Affiliation: | College of Chemistry and Environmental Science, Hebei University, Baoding 071002, China;College of Science, Agriculture University of Hebei, Baoding 071001, China;International Center for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China;Key Laboratory of Medical Chemistry and Molecular Diagnosis, Ministry of Education, Hebei University, Baoding 071002, China |
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| Abstract: | Based on density-functional theory and the modified fundamental measure theory for the classical fluid, the equilibrium density distribution of charged hard-sphere fluid confined in parallel plates was studied. By comparing the density distributions in the case of with and without applied electric field, the effect of the electric field on the molecular density is presented. It is shown that the competition between the Coulomb′s interaction and the field-induced potential energy plays an important role in the aggregated state of charged hard-sphere fluid. The corresponding results can provide helpful clues for understanding quantitatively the properties of plasmas, ionic liquids and electrolyte solutions confined in mesoscopic scale. |
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| Keywords: | Density functional theory Charged hard-sphere fluid Modified fundamental measure theory |
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