We study self-diffusion and sedimentation in colloidal suspensions of nearly hard spheres using the multiparticle collision dynamics simulation method for the solvent with a discrete mesh model for the colloidal particles (MD+MPCD). We cover colloid volume fractions from 0.01 to 0.40 and compare the MD+MPCD simulations to experimental data and Brownian dynamics simulations with free-draining hydrodynamics (BD) as well as pairwise far-field hydrodynamics described using the Rotne–Prager–Yamakawa mobility tensor (BD+RPY). The dynamics in MD+MPCD suggest that the colloidal particles are only partially coupled to the solvent at short times. However, the long-time self-diffusion coefficient in MD+MPCD is comparable to that in experiments, and the sedimentation coefficient in MD+MPCD is in good agreement with that in experiments and BD+RPY, suggesting that MD+MPCD gives a reasonable description of hydrodynamic interactions in colloidal suspensions. The discrete-particle MD+MPCD approach is convenient and readily extended to more complex shapes, and we determine the long-time self-diffusion coefficient in suspensions of nearly hard cubes to demonstrate its generality.
Skip Nav Destination
Article navigation
14 January 2022
Research Article|
January 13 2022
Diffusion and sedimentation in colloidal suspensions using multiparticle collision dynamics with a discrete particle model
Yashraj M. Wani
;
Yashraj M. Wani
1
Institute of Physics, Johannes Gutenberg University Mainz
, Staudingerweg 7, 55128 Mainz, Germany
Search for other works by this author on:
Penelope Grace Kovakas;
Penelope Grace Kovakas
2
Department of Chemical Engineering, Auburn University
, Auburn, Alabama 36849, USA
Search for other works by this author on:
Arash Nikoubashman
;
Arash Nikoubashman
a)
1
Institute of Physics, Johannes Gutenberg University Mainz
, Staudingerweg 7, 55128 Mainz, Germany
Search for other works by this author on:
Michael P. Howard
Michael P. Howard
a)
2
Department of Chemical Engineering, Auburn University
, Auburn, Alabama 36849, USA
Search for other works by this author on:
J. Chem. Phys. 156, 024901 (2022)
Article history
Received:
October 12 2021
Accepted:
December 21 2021
Citation
Yashraj M. Wani, Penelope Grace Kovakas, Arash Nikoubashman, Michael P. Howard; Diffusion and sedimentation in colloidal suspensions using multiparticle collision dynamics with a discrete particle model. J. Chem. Phys. 14 January 2022; 156 (2): 024901. https://doi.org/10.1063/5.0075002
Download citation file:
Pay-Per-View Access
$40.00
Sign In
You could not be signed in. Please check your credentials and make sure you have an active account and try again.
Citing articles via
DeePMD-kit v2: A software package for deep potential models
Jinzhe Zeng, Duo Zhang, et al.
CREST—A program for the exploration of low-energy molecular chemical space
Philipp Pracht, Stefan Grimme, et al.
Freezing point depression of salt aqueous solutions using the Madrid-2019 model
Cintia P. Lamas, Carlos Vega, et al.
Related Content
Multiparticle collision dynamics simulations of hydrodynamic interactions in colloidal suspensions: How well does the discrete particle approach do at short range?
J. Chem. Phys. (May 2024)
Multi-particle collision dynamics for a coarse-grained model of soft colloids
J. Chem. Phys. (August 2019)
Conformation and diffusion behavior of ring polymers in solution: A comparison between molecular dynamics, multiparticle collision dynamics, and lattice Boltzmann simulations
J. Chem. Phys. (November 2011)
Dynamics of polymers in a particle-based mesoscopic solvent
J. Chem. Phys. (October 2005)
Multi-particle collision dynamics with a non-ideal equation of state. II. Collective dynamics of elongated squirmer rods
J. Chem. Phys. (October 2021)