荷电流体中静电关联效应的有效势模型

康艳霜; 孙宗利

doi:10.7498/aps.63.136101

摘要

基于Nordholm关于等离子体的库仑关联孔穴的概念，提出了描述荷电流体的有效库仑势模型. 采用经典密度泛函理论，计算了受限于纳米微腔中荷电流体的平衡结构. 通过对比计算结果，研究了粒子间的关联效应对体系平衡密度分布和剩余吸附量的影响. 此外，计算并研究了较大尺寸受限空间中荷电粒子的关联效应对体系结构的影响. 研究结果表明：本文提出的有效两体势模型可有效地预测荷电粒子间的库仑关联对体系结构和物理化学性质的影响. 研究结果可为研究和理解其他复杂的势模型体系中的关联效应提供可能的线索.

关键词:

Abstract

Based on the Nordholm's concept of Coulomb repulsive hole for plasma, a model of effective Coulomb potential is proposed to describe the charged fluids. Employing the classical density functional theory, the equilibrium structures of charged fluids confined in nano-cavities are calculated. Through the comparison with the numerical results, the effect of Coulomb correlation on the structure and excess adsorption is studied. In addition, the influence of Coulomb correlation on the structure is also calculated and studied under the condition of larger confinement. It is shown that the effective pair potential proposed here can be successfully used to predict the effects of Coulomb correlation on the structure and other physical chemical properties. Results obtained can provide some useful clues to the understanding of the correlation in other complex model potential system.

Keywords:

作者及机构信息

康艳霜¹,
孙宗利²

1.
河北农业大学理学院, 保定 071001;

2.
华北电力大学科技学院, 保定 071051

基金项目: 中央高校基本科研业务费专项资金（批准号：13MS105）、保定市科学研究与发展计划（批准号：13ZF131，13ZR036）和河北省科技计划项目（批准号：13213704）资助的课题.

Authors and contacts

Kang Yan-Shuang¹,
Sun Zong-Li²

1.
College of Science, Agriculture University of Hebei, Baoding 071001, China;

2.
Science and Technology College, North China Electric Power University, Baoding 071051, China

Funds: Project supported by the Fundamental Research Funds for the Central Universities of China (Grant No. 13MS105), the Scientific Research and Development Program of Baoding, China (Nos. 13ZF131, 13ZR036), and the Technology Research and Development Program of Hebei, China (Grant No. 13213704).

参考文献

[1]	Evans D F, Wennerström H 1994 The Colloidal Domain: Where Physics, Chemistry, Biology and Technology Meet (New York: Wiley-VCH) pp87-130
[2]	Hansen J P, Löwen H 2000 Annual Rev. Phys. Chem. 51 209
[3]	Zhong C, Chen Z Q, Yang W G, Xia H 2013 Acta Phys. Sin. 2013 62 214207 (in Chinese)[钟诚, 陈智全, 杨伟国, 夏辉 2013 62 214207]
[4]	Zhang C L, Kong W, Yang F, Liu S F, Hu B L 2013 Acta Phys. Sin. 2013 62 095201 (in Chinese)[张崇龙, 孔伟, 杨芳, 刘松芬, 胡北来 2013 62 095201]
[5]	Oosawa F 1968 Biopolymers 6 1633
[6]	Guldbrand L, Jönsson B, Wennerström H, Linse P 1984 J. Chem. Phys. 80 2221
[7]	Valleau J P, Ivkov R, Torrie G M 1991 J. Chem. Phys. 95 520
[8]	Tang Z X, Scriven L E, Davis H T 1992 J. Chem. Phys. 97 9528
[9]	Peng B, Yu Y X 2008 J. Phys. Chem. B 112 15407
[10]	Peng B, Yu Y X 2008 Langmuir 24 12431
[11]	Yu Y X 2009 J. Chem. Phys. 131 024704
[12]	You F Q, Yu Y X, Gao G H 2005 J. Phys. Chem. B 109 3512
[13]	Nordholm S 1984 Chem. Phys. Lett. 105 302
[14]	Evans R 1979 Adv. Phys. 28 143
[15]	Henderson D 1992 Fundamentals of Inhomogeneous Fluids, (New York: Dekker) pp85-175
[16]	Hansen J P, McDonald I R 2006 Theory of Simple Liquids (London: Academic) pp55-57
[17]	Kierlik E, Rosinberg M L 1990 Phys. Rev. A 42 3382
[18]	Kroll D M, Laird B B 1990 Phys. Rev. A 42 4806
[19]	Mulero A 2008 Theory and Simulation of Hard-Sphere Fluids and Related Systems (Berlin: Springer) pp248-253
[20]	Zhou S Q 2008 Chin. Phys. B 17 3812
[21]	Xiang Y T, Jamnik A, Yang K W 2010 Chin. Phys. B 19 110505
[22]	Gillespie D, Nonner W, Eisenberg R S 2003 Phys. Rev. E 68 031503
[23]	Peng B, Yu Y X 2009 J. Chem. Phys. 131 134703
[24]	Wang K, Yu Y X, Gao G H 2008 J. Chem. Phys. 128 185101
[25]	Yu Y X, Gao G H, Wang X L 2006 J. Phys. Chem. B 110 14418
[26]	Harnau L, Dietrich S 2005 Phys. Rev. E 71 011504
[27]	Esztermann A, Reich H, Schmidt M 2006 Phys. Rev. E 73 011409
[28]	Zhou S Q, Sun H W 2005 J. Phys. Chem. B 109 6397
[29]	Velasco E, Mederos L, Sullivan D E 2002 Phys. Rev. E 66 021708
[30]	Cinacchi G, Schmid F 2002 J. Phys.: Condens. Matter 14 12223
[31]	Rosenfeld Y 1989 Phys. Rev. Lett. 63 980
[32]	Forsman J 2004 J. Phys. Chem. B 108 9236
[33]	Yu Y X, Wu J Z 2002 J. Chem. Phys. 117 10156
[34]	Yu Y X, Wu J Z 2002 J. Chem. Phys. 116 7094
[35]	Yu Y X, Wu J Z 2002 J. Chem. Phys. 117 2368
[36]	Sun Z L, Kang Y S 2012 Chin. Phys. B 21 066103

施引文献

[1]	Evans D F, Wennerström H 1994 The Colloidal Domain: Where Physics, Chemistry, Biology and Technology Meet (New York: Wiley-VCH) pp87-130
[2]	Hansen J P, Löwen H 2000 Annual Rev. Phys. Chem. 51 209
[3]	Zhong C, Chen Z Q, Yang W G, Xia H 2013 Acta Phys. Sin. 2013 62 214207 (in Chinese)[钟诚, 陈智全, 杨伟国, 夏辉 2013 62 214207]
[4]	Zhang C L, Kong W, Yang F, Liu S F, Hu B L 2013 Acta Phys. Sin. 2013 62 095201 (in Chinese)[张崇龙, 孔伟, 杨芳, 刘松芬, 胡北来 2013 62 095201]
[5]	Oosawa F 1968 Biopolymers 6 1633
[6]	Guldbrand L, Jönsson B, Wennerström H, Linse P 1984 J. Chem. Phys. 80 2221
[7]	Valleau J P, Ivkov R, Torrie G M 1991 J. Chem. Phys. 95 520
[8]	Tang Z X, Scriven L E, Davis H T 1992 J. Chem. Phys. 97 9528
[9]	Peng B, Yu Y X 2008 J. Phys. Chem. B 112 15407
[10]	Peng B, Yu Y X 2008 Langmuir 24 12431
[11]	Yu Y X 2009 J. Chem. Phys. 131 024704
[12]	You F Q, Yu Y X, Gao G H 2005 J. Phys. Chem. B 109 3512
[13]	Nordholm S 1984 Chem. Phys. Lett. 105 302
[14]	Evans R 1979 Adv. Phys. 28 143
[15]	Henderson D 1992 Fundamentals of Inhomogeneous Fluids, (New York: Dekker) pp85-175
[16]	Hansen J P, McDonald I R 2006 Theory of Simple Liquids (London: Academic) pp55-57
[17]	Kierlik E, Rosinberg M L 1990 Phys. Rev. A 42 3382
[18]	Kroll D M, Laird B B 1990 Phys. Rev. A 42 4806
[19]	Mulero A 2008 Theory and Simulation of Hard-Sphere Fluids and Related Systems (Berlin: Springer) pp248-253
[20]	Zhou S Q 2008 Chin. Phys. B 17 3812
[21]	Xiang Y T, Jamnik A, Yang K W 2010 Chin. Phys. B 19 110505
[22]	Gillespie D, Nonner W, Eisenberg R S 2003 Phys. Rev. E 68 031503
[23]	Peng B, Yu Y X 2009 J. Chem. Phys. 131 134703
[24]	Wang K, Yu Y X, Gao G H 2008 J. Chem. Phys. 128 185101
[25]	Yu Y X, Gao G H, Wang X L 2006 J. Phys. Chem. B 110 14418
[26]	Harnau L, Dietrich S 2005 Phys. Rev. E 71 011504
[27]	Esztermann A, Reich H, Schmidt M 2006 Phys. Rev. E 73 011409
[28]	Zhou S Q, Sun H W 2005 J. Phys. Chem. B 109 6397
[29]	Velasco E, Mederos L, Sullivan D E 2002 Phys. Rev. E 66 021708
[30]	Cinacchi G, Schmid F 2002 J. Phys.: Condens. Matter 14 12223
[31]	Rosenfeld Y 1989 Phys. Rev. Lett. 63 980
[32]	Forsman J 2004 J. Phys. Chem. B 108 9236
[33]	Yu Y X, Wu J Z 2002 J. Chem. Phys. 117 10156
[34]	Yu Y X, Wu J Z 2002 J. Chem. Phys. 116 7094
[35]	Yu Y X, Wu J Z 2002 J. Chem. Phys. 117 2368
[36]	Sun Z L, Kang Y S 2012 Chin. Phys. B 21 066103

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