Open AccessSolvent-induced depletion interactions in multiparticle collision dynamic simulations
Author(s) -
Martin Wagner,
Marisol Ripoll
Publication year - 2019
Publication title -
international journal of modern physics c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.228
H-Index - 67
eISSN - 1793-6586
pISSN - 0129-1831
DOI - 10.1142/s0129183119410080
Subject(s) - mesoscale meteorology , spurious relationship , collision , molecular dynamics , computer science , statistical physics , dynamics (music) , colloid , compressibility , physics , chemical physics , mechanics , chemistry , meteorology , computer security , quantum mechanics , machine learning , acoustics
Molecular-dynamics-coupled multiparticle collision dynamic (MPC-MD) simulations have emerged to be an efficient and versatile tool in the description of mesoscale colloidal dynamics. However, the compressibility of the coarse-grained fluid leads to this method being prone to spurious depletion interactions that may dominate the colloidal dynamics. In this paper, we review the existing methodology to deal with these interactions, establish and report depletion measurements, and present a method to avoid artificial depletion in mesoscale simulation methods.