CAS OpenIR
A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures
Chen,Yue1,2; Chen,Wei3; Chen,Xiaosong4
2022-02-24
Source PublicationCommunications in Theoretical Physics
ISSN0253-6102
Volume74Issue:3
AbstractAbstract In this article, we apply classical density functional theory to investigate the characteristics of depletion interaction in Lennard-Jones (LJ) binary fluid mixtures. First, to confirm the validity of our adopted density functional formalism, we calculate the radial distribution functions using a theoretical approach and compare them with results obtained by molecular dynamics simulation. Then, this approach is applied to two colloids immersed in LJ solvent systems. We investigate the variation of depletion interaction with respect to the distance of two colloids in LJ binary systems. We find that depletion interaction may be attractive or repulsive, mostly depending on the bulk density of the solvent and the temperature of the binary system. For high bulk densities, the repulsive barrier of depletion force is remarkable when the total excluded volume of colloids touches each other and reaches a maximum. The height of the repulsive barrier is related to the parameters of the LJ potential and bulk density. Moreover, the depletion force may exhibit attractive wells if the bulk density of the solvent is low. The attractive well tends to appear when the surface–surface distance of colloids is half of the size of the polymer and deepens with temperature lowering in a fixed bulk density. In contrast with the hard-sphere system, no oscillation of depletion potential around zero is observed.
Keywordmolecular simulation density functional theory depletion interaction soft matter physics colloid–polymer mixtures
DOI10.1088/1572-9494/ac4511
Language英语
WOS IDIOP:ctp_74_3_035602
PublisherIOP Publishing
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/49979
Collection中国科学院过程工程研究所
Corresponding AuthorChen,Yue
Affiliation1.CAS Key Laboratory of Theoretical Physics, Institute of Theoretical Physics, Chinese Academy of Sciences, Beijing 100190, China
2.School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
3.State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, China
4.School of Systems Science, Beijing Normal University, Beijing 100875, China
Recommended Citation
GB/T 7714
Chen,Yue,Chen,Wei,Chen,Xiaosong. A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures[J]. Communications in Theoretical Physics,2022,74(3).
APA Chen,Yue,Chen,Wei,&Chen,Xiaosong.(2022).A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures.Communications in Theoretical Physics,74(3).
MLA Chen,Yue,et al."A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures".Communications in Theoretical Physics 74.3(2022).
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Chen,Yue]'s Articles
[Chen,Wei]'s Articles
[Chen,Xiaosong]'s Articles
Baidu academic
Similar articles in Baidu academic
[Chen,Yue]'s Articles
[Chen,Wei]'s Articles
[Chen,Xiaosong]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Chen,Yue]'s Articles
[Chen,Wei]'s Articles
[Chen,Xiaosong]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.