My research concerns the study of structural and dynamic properties of solutions and suspensions. They aim at modeling these systems, in order to better understand the “microscopic” mechanisms that drive the measurable macroscopic properties. These models generally concern real systems for which experimental data are available, at least partially.
I am interested in dynamic properties over relatively long timescales, which requires the use of “coarse-grained” or mesoscopic models, i.e. models in which all the atoms of the system are not explicitly considered.
The simulation techniques I use are mainly :
- Overdamped Brownian dynamics: this is an implicit solvent simulation method, which allows to take into account interactions between mobile solutes and in some cases hydrodynamic interactions.
- Multi-Particle Collision Dynamics (MPCD) or Stochastic Rotation Dynamics: this is a mesoscopic simulation method with a very simplified solvent model that allows to account for hydrodynamic properties in various regimes and geometries.
My collaborators within PHENIX are essentially Vincent Dahirel, Pierre Illien, Roxanne Bertin and Virginie Marry.
- Thermodynamics applied to chemistry (second year)
- Solution chemistry (first year)
Some recent papers
- Diffusion of a tracer in a dense mixture of soft particles connected to different thermostats
M Jardat, V Dahirel, P Illien,
Phys. Rev. E 106, 064608 (2022)
- Flow Induced Lift Forces on Polymer Chains in Nanochannels
L. Pérez-Ocampo, L. B. Weiss, M. Jardat, C. N. Likos, V Dahirel,
ACS Polymers Au 2, 245 (2022)
- Spontaneous propulsion of an isotropic colloid in a phase-separating environment
J. Decayeux, V. Dahirel, M. Jardat, P. Illien,
Phys. Rev E 104 , 034602 (2021)
- Coarse-grained Models of Aqueous Solutions of Polyelectrolytes: Significance of Explicit Charges,
P. Bacle, M. Jardat, V. Marry, G. Mériguet, G. Batôt, V. Dahirel,
J. Phys. Chem. B 124, 288-301 (2020)
- Can we describe charged nanoparticles with electrolyte theories? Insight from mesoscopic simulation techniques,
V. Dahirel, O. Bernard, M. Jardat,
J. Mol. Liq. 303, 111942 (2020)