Please wait a minute...
Chin. Phys. B, 2017, Vol. 26(8): 086101    DOI: 10.1088/1674-1056/26/8/086101
CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES Prev   Next  

Density functional study on the pressure profile of the inhomogeneous fluid mixture

Yanshuang Kang(康艳霜)1, Yanmei Kang(康艳梅)2, Zongli Sun(孙宗利)3, Yushan Li(李玉山)4, Shanshan Tan(檀姗姗)3
1 College of Science, Agriculture University of Hebei, Baoding 071001, China;
2 University of International Relations, Beijing 100091, China;
3 Science and Technology College, North China Electric Power University, Baoding 071051, China;
4 Department of Physics and Electronic Engineering, Heze University, Heze 274015, China
Abstract  

By using the statistical mechanics, the pressure tensor for the multi component fluid mixture is derived. With the help of the classical density functional theory, profiles of the pressure components are calculated, and the influence of the total volume fraction, ratio of volume fraction, and size asymmetry on the pressure are studied. In addition, our results show that for the mixture confined in the hard cavity, the pressure shows a discontinuity near the cavity wall. However, in the soft cavity condition, the discontinuity disappears.

Keywords:  pressure tensor      density functional theory      fluid mixture      correlation  
Received:  10 March 2017      Revised:  02 May 2017      Accepted manuscript online: 
PACS:  61.20.Gy (Theory and models of liquid structure)  
  62.10.+s (Mechanical properties of liquids)  
Fund: 

Project supported by the National Natural Science Foundation of China (Grant No. 21503077), the Fundamental Research Fund for the Central Universities of China (Grant Nos. 2016MS156 and 13MS105), the Technology Research and Development Program of Hebei Province, China (Grant No. 13213704), and the Program of Study Abroad for Young Teachers by Agricultural University of Hebei.

Corresponding Authors:  Yanshuang Kang, Zongli Sun     E-mail:  kang_yanshuang@163.com;sunzl@ncepu.edu.cn
About author:  0.1088/1674-1056/26/8/

Cite this article: 

Yanshuang Kang(康艳霜), Yanmei Kang(康艳梅), Zongli Sun(孙宗利), Yushan Li(李玉山), Shanshan Tan(檀姗姗) Density functional study on the pressure profile of the inhomogeneous fluid mixture 2017 Chin. Phys. B 26 086101

[1] Rowlinson J S and Widom B 1982 Molecular Theory of Capillarity (Oxford: Clarendon Press)
[2] Croxton C A 1986 Fluid Interfacial Phenomena (New York: Wiley)
[3] Davis H T and Scriven L E 1982 Adv. Chem. Phys. 49 357
[4] Irving J H and Kirkwood J G 1950 J. Chem. Phys. 18 817
[5] Hafskjold B and Ikeshoji T 2002 Phys. Rev. E 66 011203
[6] Iwamatsu M 2003 Physica A 329 14
[7] Brodskaya E N and Rusanov A I 2009 Colloid Journal 71 22
[8] Long Y, Palmer J C, Coasne B, Sliwinska-Bartkowiak M, Jackson G, Müller E A and Gubbins K E 2013 J. Chem. Phys. 139 144701
[9] Schofield P and Henderson J R 1982 Proc. R. Soc. Lond. A 379 231
[10] Harasima A 1958 Adv. Chem. Phys. 1 203
[11] Thompson A P, Plimpton S J and Mattson W 2009 J. Chem. Phys. 131 154107
[12] Wang Z, Liu L C and Neretnieks I 2011 J. Chem. Phys. 135 244107
[13] Nakamura T, Shinoda W and Ikeshoji T 2011 J. Chem. Phys. 135 094106
[14] Heyes D M, Smith E R, Dini D and Zaki T A 2011 J. Chem. Phys. 135 024512
[15] Eslami H and Mehdipour N 2012 J. Chem. Phys. 137 144702
[16] Coasne B, Long Y and Gubbins K E 2014 Mol. Simul. 40 721
[17] Milchev A 2015 J. Chem. Phys. 143 064701
[18] Wang Z, Liu L C and Neretnieks I 2015 Mol. Phys. 114 599
[19] Todd B D, Evans D J and Daivis P J 1995 Phys. Rev. E 52 1627
[20] Cormier J, Rickman J M and Delph T J 2001 J. Appl. Phys. 89 99
[21] Sun Z L, Kang Y S, Kang Y M, Liu Z C and Ma H X 2012 Chin. Phys. B 21 066103
[22] Bearman R J and Kirkwood J G 1958 J. Chem. Phys. 28 136
[23] Harris R A and Rice S A 1960 J. Chem. Phys. 33 1047
[24] Snell F M, Aranow R and Spangle R A 1967 J. Chem. Phys. 47 4959
[25] Evans R 1979 Adv. Phys. 28 143
[26] Henderson D 1992 Fundamentals of Inhomogeneous Fluids (New York: Dekker)
[27] Hansen J P and McDonald I R 1986 Theory of Simple Liquids (New York: Academic)
[28] Ramakrishnan T V and Yussouf M 1979 Phys. Rev. B 19 2775
[29] Calleja M, North A N, Powels J G and Rickayzen G 1991 Mol. Phys. 73 973
[30] Zhou S Q and Ruckenstein E 2000 Phys. Rev. E 61 2704
[31] Zhou S Q and Ruckenstein E 2000 J. Chem. Phys. 112 8079
[32] Choudhury N and Ghosh S K 2001 J. Chem. Phys. 114 8530
[33] Kim S C and Suh S Y 2002 J. Chem. Phys. 117 9880
[34] Zhou S Q 2008 Chin. Phys. B 17 3812
[35] Tarazona P 1985 Phys. Rev. A 31 2672
[36] CurtinW A and Ashcroft N W 1985 Phys. Rev. A 32 2909
[37] Rosenfeld Y 1989 Phys. Rev. Lett. 63 980
[38] Yu Y X and Wu J Z 2002 J. Chem. Phys. 117 10156
[39] Roth R, Evans R, Lang A and Kahl G 2002 J. Phys.: Condens. Matter 14 12063
[40] Yu Y X, You F Q, Tang Y P, Gao G H and Li Y G 2006 J. Phys. Chem. B 110 334
[41] Yu Y X 2009 J. Chem. Phys. 131 024704
[42] Cao D P, Cheng L S and Wang W C 2007 Chin. Phys. 16 2296
[43] Xu X F and Cao D P 2010 J. Chem. Phys. 133 121101
[44] Pusey P N and van Megen W 1986 Nature 320 340
[45] van Blaaderen A and Wiltzius P 1995 Science 270 1177
[46] Royall C P, Louis A A and Tanaka H 2007 J. Chem. Phys. 127 044507
[47] Royall C P, Poon W C K and Weeks E R 2013 Soft Matter 9 17
[48] Lebowitz J L 1964 Phys. Rev. 133 A895
[49] Lupkowski M and van Swol F 1990 J. Chem. Phys. 93 737
[50] Kim S C, Suh S H and Lee C H 1999 J. Korean Phys. Soc. 35 350
[1] Predicting novel atomic structure of the lowest-energy FenP13-n(n=0-13) clusters: A new parameter for characterizing chemical stability
Yuanqi Jiang(蒋元祺), Ping Peng(彭平). Chin. Phys. B, 2023, 32(4): 047102.
[2] A theoretical study of fragmentation dynamics of water dimer by proton impact
Zhi-Ping Wang(王志萍), Xue-Fen Xu(许雪芬), Feng-Shou Zhang(张丰收), and Xu Wang(王旭). Chin. Phys. B, 2023, 32(3): 033401.
[3] Plasmonic hybridization properties in polyenes octatetraene molecules based on theoretical computation
Nan Gao(高楠), Guodong Zhu(朱国栋), Yingzhou Huang(黄映洲), and Yurui Fang(方蔚瑞). Chin. Phys. B, 2023, 32(3): 037102.
[4] Ferroelectricity induced by the absorption of water molecules on double helix SnIP
Dan Liu(刘聃), Ran Wei(魏冉), Lin Han(韩琳), Chen Zhu(朱琛), and Shuai Dong(董帅). Chin. Phys. B, 2023, 32(3): 037701.
[5] Effects of π-conjugation-substitution on ESIPT process for oxazoline-substituted hydroxyfluorenes
Di Wang(汪迪), Qiao Zhou(周悄), Qiang Wei(魏强), and Peng Song(宋朋). Chin. Phys. B, 2023, 32(2): 028201.
[6] Investigating the characteristic delay time in the leader-follower behavior in children single-file movement
Shu-Qi Xue(薛书琦), Nirajan Shiwakoti, Xiao-Meng Shi(施晓蒙), and Yao Xiao(肖尧). Chin. Phys. B, 2023, 32(2): 028901.
[7] High-order harmonic generation of the cyclo[18]carbon molecule irradiated by circularly polarized laser pulse
Shu-Shan Zhou(周书山), Yu-Jun Yang(杨玉军), Yang Yang(杨扬), Ming-Yue Suo(索明月), Dong-Yuan Li(李东垣), Yue Qiao(乔月), Hai-Ying Yuan(袁海颖), Wen-Di Lan(蓝文迪), and Mu-Hong Hu(胡木宏). Chin. Phys. B, 2023, 32(1): 013201.
[8] Site selective 5f electronic correlations in β-uranium
Ruizhi Qiu(邱睿智), Liuhua Xie(谢刘桦), and Li Huang(黄理). Chin. Phys. B, 2023, 32(1): 017101.
[9] Atomic structure and collision dynamics with highly charged ions
Xinwen Ma(马新文), Shaofeng Zhang(张少锋), Weiqiang Wen(汶伟强), Zhongkui Huang(黄忠魁), Zhimin Hu(胡智民), Dalong Guo(郭大龙), Junwen Gao(高俊文), Bennaceur Najjari, Shenyue Xu(许慎跃), Shuncheng Yan(闫顺成), Ke Yao(姚科), Ruitian Zhang(张瑞田), Yong Gao(高永), and Xiaolong Zhu(朱小龙). Chin. Phys. B, 2022, 31(9): 093401.
[10] First-principles study of a new BP2 two-dimensional material
Zhizheng Gu(顾志政), Shuang Yu(于爽), Zhirong Xu(徐知荣), Qi Wang(王琪), Tianxiang Duan(段天祥), Xinxin Wang(王鑫鑫), Shijie Liu(刘世杰), Hui Wang(王辉), and Hui Du(杜慧). Chin. Phys. B, 2022, 31(8): 086107.
[11] Adaptive semi-empirical model for non-contact atomic force microscopy
Xi Chen(陈曦), Jun-Kai Tong(童君开), and Zhi-Xin Hu(胡智鑫). Chin. Phys. B, 2022, 31(8): 088202.
[12] Coherence migration in high-dimensional bipartite systems
Zhi-Yong Ding(丁智勇), Pan-Feng Zhou(周攀峰), Xiao-Gang Fan(范小刚),Cheng-Cheng Liu(刘程程), Juan He(何娟), and Liu Ye(叶柳). Chin. Phys. B, 2022, 31(6): 060308.
[13] Collision site effect on the radiation dynamics of cytosine induced by proton
Xu Wang(王旭), Zhi-Ping Wang(王志萍), Feng-Shou Zhang(张丰收), and Chao-Yi Qian (钱超义). Chin. Phys. B, 2022, 31(6): 063401.
[14] First principles investigation on Li or Sn codoped hexagonal tungsten bronzes as the near-infrared shielding material
Bo-Shen Zhou(周博深), Hao-Ran Gao(高浩然), Yu-Chen Liu(刘雨辰), Zi-Mu Li(李子木),Yang-Yang Huang(黄阳阳), Fu-Chun Liu(刘福春), and Xiao-Chun Wang(王晓春). Chin. Phys. B, 2022, 31(5): 057804.
[15] Laser-induced fluorescence experimental spectroscopy and theoretical calculations of uranium monoxide
Xi-Lin Bai(白西林), Xue-Dong Zhang(张雪东), Fu-Qiang Zhang(张富强), and Timothy C Steimle. Chin. Phys. B, 2022, 31(5): 053301.
No Suggested Reading articles found!