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Study on Interaction Between Two Parallel Plates with Iteration Method in Functional Theory
作者姓名:周明  王正武  徐祖民
作者单位:上海交通大学农业与生物学院食品科学与工程系,上海200240;江南大学化学与材料工程学院,无锡214122,上海交通大学农业与生物学院食品科学与工程系,上海200240,江南大学化学与材料工程学院,无锡214122
基金项目:国家自然科学基金,高校基金
摘    要:利用泛函分析理论中的迭代法,分别计算了平行平板双电层在高、中、低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-Hückel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,泛函理论,双电层,平行平板
收稿时间:8/2/2007 12:00:00 AM
修稿时间:2007/10/22 0:00:00

Study on Interaction Between Two Parallel Plates with Iteration Method in Functional Theory
Ming Zhou,Zheng-wu Wang and Zu-min Xu.Study on Interaction Between Two Parallel Plates with Iteration Method in Functional Theory[J].Chinese Journal of Chemical Physics,2008,21(2):131-135.
Authors:Ming Zhou  Zheng-wu Wang and Zu-min Xu
Institution:Department of Food Science and Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China; School of Chemical and Material Engineering, Jiangnan University, Wuxi 214122, China,Department of Food Science and Technology, School of Agriculture and Biology, Shanghai Jiao Tong University, Shanghai 200240, China,School of Chemical and Material Engineering, Jiangnan University, Wuxi 214122, China
Abstract:By introducing the functional theory into the calculation of electric double layer (EDL) interaction, the interaction energies of two parallel plates were calculated respectively at low, moderate, and high potentials. Compared with the results of two existing methods, Debye-H?uckel and Langmuir methods, which are applicable just to the critical potentials and perform poorly in the intermediate potential, the functional approach not only has much simpler expression of the EDL interaction energy, but also performs well in the entire range of potentials.
Keywords:Interaction energy  Functional theory  Electric double layer  Parallel plate
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