TY  - CONF
AU  - Tan, Zihan
AU  - Calandrini, Vania
AU  - Dhont, Jan K. G.
AU  - Winkler, Roland G.
AU  - Naegele, Gerhard
TI  - An efficient multiparticle collision dynamics approach to immiscible binary fluids: Hydrodynamics and application to membrane protein diffusion
M1  - FZJ-2022-02304
PY  - 2022
AB  - We present a multiparticle collision dynamics (MPC) implementation of layered immiscible fluids A and B of different shear viscosities separated by planar interfaces[1]. The simulated shear flow profile, and the time-dependent shear stress functions, are in excellent agreement with our continuum hydrodynamics results for the composite fluid. The wave-vector dependent transverse velocity auto-correlation functions in the bulk-fluid regions of the layers decay exponentially, and agree with those of single-phase isotropic MPC fluids. In addition, we determine the hydrodynamic mobilities of an embedded colloidal sphere moving steadily parallel or perpendicular to a fluid-fluid interface, as functions of the distance from the interface. The obtained mobilities are in good agreement with hydrodynamic force multipoles calculations for a no-slip sphere moving under creeping flow conditions near a clean, ideally flat interface. Moreover, we discuss our preliminary simulation results for a simple model of G protein-coupled receptors diffusing alongside a coarse-grained membrane based on a layered binary fluid model. The results show that this model is computationally efficient and feasible to study the diffusion of interacting membrane proteins over extended time and length scales[2].
T2  - APS March Meeting 2022
CY  - 14 Mar 2022 - 18 Mar 2022, Chicago/Online (Germany)
Y2  - 14 Mar 2022 - 18 Mar 2022
M2  - Chicago/Online, Germany
LB  - PUB:(DE-HGF)24
UR  - https://juser.fz-juelich.de/record/907962
ER  -