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

Nigel Wilding, Robert Jack

Research output: Contribution to journalArticle

3 Citations (Scopus)
55 Downloads (Pure)

Abstract

When a colloid is 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.
Original languageEnglish
Article number084907
JournalJournal of Chemical Physics
Volume145
Issue number8
Early online date29 Aug 2016
DOIs
Publication statusPublished - Aug 2016

Fingerprint

Colloids
colloids
depletion
interactions
Polymers
virial coefficients
inference
polymers

Cite this

Coarse-grained depletion potentials for anisotropic colloids: application to lock-and-key systems. / Wilding, Nigel; Jack, Robert.

In: Journal of Chemical Physics, Vol. 145, No. 8, 084907, 08.2016.

Research output: Contribution to journalArticle

@article{4a8a56a2deb243f598e4e45beb03d21e,
title = "Coarse-grained depletion potentials for anisotropic colloids: application to lock-and-key systems",
abstract = "When a colloid is 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.",
author = "Nigel Wilding and Robert Jack",
year = "2016",
month = "8",
doi = "10.1063/1.4961541",
language = "English",
volume = "145",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics Publising LLC",
number = "8",

}

TY - JOUR

T1 - Coarse-grained depletion potentials for anisotropic colloids: application to lock-and-key systems

AU - Wilding, Nigel

AU - Jack, Robert

PY - 2016/8

Y1 - 2016/8

N2 - When a colloid is 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.

AB - When a colloid is 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.

UR - https://arxiv.org/abs/1607.00960

UR - http://dx.doi.org/10.1063/1.4961541

U2 - 10.1063/1.4961541

DO - 10.1063/1.4961541

M3 - Article

VL - 145

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 8

M1 - 084907

ER -