物理化学学报 >> 2007, Vol. 23 >> Issue (11): 1776-1780.doi: 10.3866/PKU.WHXB20071123

研究论文 上一篇    下一篇

泛函迭代法研究等同平行平板双电层间的相互作用

周明; 王正武; 徐祖民   

  1. 上海交通大学农业与生物学院食品科学与工程系, 上海 201101; 江南大学化学与材料工程学院, 江苏 无锡 214122
  • 收稿日期:2007-05-09 修回日期:2007-06-14 发布日期:2007-11-01
  • 通讯作者: 王正武 E-mail:zhengwuwang@hotmail.com

Study on the Interaction between Two Identical Parallel Plates with Iteration Method in Functional Theory

ZHOU Ming; WANG Zheng-Wu; XU Zu-Min   

  1. Department of Food Science&Technology, School of Agriculture and Biology, Shanghai Jiaotong University, Shanghai 201101, P. R. China; School of Chemical and Material Engineering , Southern Yangtze University, Wuxi 214122, Jiangsu Province, P. R. China
  • Received:2007-05-09 Revised:2007-06-14 Published:2007-11-01
  • Contact: WANG Zheng-Wu E-mail:zhengwuwang@hotmail.com

摘要: 利用泛函分析理论中的迭代法, 分别计算了等同平行平板双电层在128、77、和25 mV电位下的相互作用能. 并以数值法所得结果为参照, 在各电位下分别与Debye-Huckel(DH)线性近似法、Langmuir 近似法所得的结果进行比较. 结果表明, DH线性近似法和Langmuir近似法均只能分别局限于极低或极高电位, 而泛函迭代法不但有简单的解析表达式, 而且在各种电位下都能得到较满意的结果.

关键词: 相互作用能, 平行平板, 双电层, 泛函理论

Abstract: By introducing the functional theory into the calculation of electric double layer (EDL) interaction, the interaction energies of two identical parallel plates were calculated at 128, 77, and 25 mV potentials, respectively. Compared with the results from the Debye-Huckel (DH), Langmuir, and numerical methods, respectively, the results showed that DH and Langmuir methods were applicable just for the critical potentials, but the functional approach with quite accurate and simple analytic expression held true at any potential.

Key words: Interaction energy, Parallel plates, Electric double layer, Functional theory

MSC2000: 

  • O648