Recent advances in Many Body Dissipative Particles Dynamics simulations of liquid-vapor interfaces

Abstract

Many Body Dissipative Particles Dynamics (MDPD) simulation is a novel promising mesoscopic method to model the liquid-vapor interfaces. Based upon works of Paganobarraga and Frenkel (J. Chem. Phys. 15, 5015 (2001)) and Trofimov (J. Chem. Phys. 117, 9383 (2002)) and of Warren (Phys. Rev. E 68, 066702 (2003)) this method has been critically reviewed during this last decade. We propose here to give an overview of the Many Body Dissipative Particles Dynamic simulation within the framework of the liquid-vapor interfaces. We recall the theoretical background of MDPD and we present some recent results of systems of interest such as water liquid-vapor interfaces and salt effect on water surface tension. Additionally we discuss the ability of MDPD to capture the mechanisms at the mesoscopic scale through the formation of micelles and the coalescence of a nanodroplet water on water surface.

Viscosity measurement techniques in Dissipative Particle Dynamics

“…One can establish a dimensional analysis relating dimensionless parameters in DPD to real physical units which depends on the coarse-graining level. Table 1 deals with this conversion between DPD units used in this study and real physical units similar to one proposed and used by Ghoufi and Malfreyt [22].…”

Numerical study of surface agglomeration of ultraviolet‐polymeric ink and its control during 3D nano‐inkjet printing process

“…To recap, the ink composes of oligomers and monomers of poly(ethylene glycol) (PEG) and polystyrene (PS) with benzophenone (BZP) as the photoinitiator, in the ratio 2.5:1:0.4. The attraction ( A ij ) between different types of MDPD beads will be calculated based on the material's molar volume and solubility parameter . By calculating the Flory–Huggins ( χ ij ) parameters, the value of each pair of beads can be defined from the solubility parameter via eq , where δ i and δ j are the solubility parameters of an interacting pair beads, and V ref is the mean molar volume of each pair of beads.…”

“…MDPD is an extended version of DPD, initiated by Pagonabarraga and Frenkel, which includes attractive force in its implementation of particle–particle interactions. As oppose to dissipative particle dynamics (DPD), which includes only pure repulsive force, MDPD allows free surface problems like nanodroplet formation to be studied due to its inclusion of an attractive component …”

“…As oppose to dissipative particle dynamics (DPD), which includes only pure repulsive force, MDPD allows free surface problems like nanodroplet formation to be studied due to its inclusion of an attractive component. [11][12][13][14][15][16] In this study, the MDPD UV ink and surfactant mix will be implemented by two different methods. In the first method, an idealized UV ink and surfactant mix is considered.…”

Everything you always wanted to know about SDPD⋆ (⋆but were afraid to ask)

“…SDPD is therefore a stochastic Lagrangian discrete representation of fluctuating hydrodynamics [31] . In the context of particle methods, another stochastic model aiming at the representation of fluctuating fluids is the DPD method [32][33][34][35][36][37][38][39] . The SDPD model developed in Ref.…”