Coarse-grained depletion potentials for anisotropic colloids: Application to lock-and-key systems

被引:8
|
作者
Law, Clement [1 ]
Ashton, Douglas J. [1 ]
Wilding, Nigel B. [1 ]
Jack, Robert L. [1 ]
机构
[1] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England
来源
JOURNAL OF CHEMICAL PHYSICS | 2016年 / 145卷 / 08期
基金
英国工程与自然科学研究理事会;
关键词
MODEL; CRYSTALLIZATION; MACROMOLECULES; PARTICLES; BEHAVIOR; PACKING; PHYSICS; FLUIDS;
D O I
10.1063/1.4961541
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
When colloids are mixed with a depletant such as a non-adsorbing polymer, one observes attractive effective interactions between the colloidal particles. If these particles are anisotropic, analysis of these effective interactions is challenging in general. We present a method for inference of approximate (coarse-grained) effective interaction potentials between such anisotropic particles. Using the example of indented (lock-and-key) colloids, we show how numerical solutions can be used to integrate out the (hard sphere) depletant, leading to a depletion potential that accurately characterises the effective interactions. The accuracy of the method is based on matching of contributions to the second virial coefficient of the colloids. The simplest version of our method yields a piecewise-constant effective potential; we also show how this scheme can be generalised to other functional forms, where appropriate. Published by AIP Publishing.
引用
收藏
页数:14
相关论文
共 50 条
  • [1] Coarse-grained interaction potentials for anisotropic molecules
    Babadi, M
    Everaers, R
    Ejtehadi, MR
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (17):
  • [2] Assembly of Lock-and-Key Colloids Mediated by Polymeric Depletant
    Chang, Hung-Yu
    Huang, Chang-Wei
    Chen, Yen-Fu
    Chen, Shyh-Yun
    Sheng, Yu-Jane
    Tsao, Heng-Kwong
    [J]. LANGMUIR, 2015, 31 (48) : 13085 - 13093
  • [3] Coarse-grained simulations of mesophases in polymers and colloids
    Escobedo, Fernando
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [4] Systematic Generation of Anisotropic Coarse-Grained Lennard-Jones Potentials and Their Application to Ordered Soft Matter
    Tillack, Andreas F.
    Johnson, Lewis E.
    Eichinger, Bruce E.
    Robinson, Bruce H.
    [J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 12 (09) : 4362 - 4374
  • [5] Machine-learned coarse-grained potentials for particles with anisotropic shapes and interactions
    Campos-Villalobos, Gerardo
    Subert, Rodolfo
    Giunta, Giuliana
    Dijkstra, Marjolein
    [J]. NPJ COMPUTATIONAL MATERIALS, 2024, 10 (01)
  • [6] Continuous anisotropic representation of coarse-grained potentials for proteins by spherical harmonics synthesis
    Buchete, NV
    Straub, JE
    Thirumalai, D
    [J]. JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2004, 22 (05): : 441 - 450
  • [7] The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions
    Paramonov, L
    Yaliraki, SN
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (19):
  • [8] Colloids in confined liquid crystals: a plot twist in the lock-and-key mechanism
    Boniello, Giuseppe
    Luo, Yimin
    Beller, Daniel A.
    Serra, Francesca
    Stebe, Kathleen J.
    [J]. SOFT MATTER, 2019, 15 (26) : 5220 - 5226
  • [9] Developing transferable coarse-grained potentials for the prediction of multiproperties of polymer systems
    Guo, Hongxia
    [J]. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2019, 258
  • [10] Thermodynamic transferability of coarse-grained potentials for polymer-additive systems
    Brini, Emiliano
    Herbers, Claudia R.
    Deichmann, Gregor
    van der Vegt, Nico F. A.
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (34) : 11896 - 11903