Dissipative particle dynamics simulation of fluid motion through an unsaturated fracture and fracture junction

Liu, Moubin; Meakin, Paul; Huang, Hai

doi:10.1016/j.jcp.2006.07.017

Cited by 54 publications

(28 citation statements)

References 42 publications

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“…The interaction behavior thus can be quite different. For example, when modeling two-phase flow in micro channel or fractures, it is found that gradually increasing the ratio of a w to a f from 0 can lead to different wetting behavior from strong non-wetting to moderate non-wetting, weak wetting, moderate wetting, strong wetting effects, and even film flows [72].…”

Section: Repulsion Parametermentioning

confidence: 99%

“…There are a number of works in using the DPD method to model the multiphase flow in micro-channels or fractures with surface tension and wetting effects [72,92,107,108]. Figure 20 shows the DPD simulation of multiphase flow through a channel network together with the numerical study using a volume of fluid (VOF) method was presented by Huang et al [109], and a flow experiment based on the same channel network fabricated using polymethylmethacrylate.…”

Section: Multiphase Flows In Pore-scale Fracture Network and Porous Mmentioning

confidence: 99%

See 1 more Smart Citation

Dissipative Particle Dynamics (DPD): An Overview and Recent Developments

Liu

Zhou

et al. 2014

Arch Computat Methods Eng

178

101

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Dissipative particle dynamics (DPD) is a mesoscale particle method that bridges the gap between microscopic and macroscopic simulations. It can be regarded as a coarse-grained molecular dynamics method suitable for larger time and length scales. It has been successfully applied to different areas of interests, especially in modeling the hydrodynamic behavior of complex fluids in mesoscale. This paper presents an overview on DPD including the methodology, formulation, implementation procedure and some related numerical aspects. The paper also reviews the major applications of the DPD method, especially in modeling (1) micro drop dynamics, (2) multiphase flows in microchannels and fracture networks, (3) movement and suspension of macromolecules in micro channels and (4) movement and deformation of single cells. The paper ends with some concluding remarks summarizing the major features and future possible development of this unique mesoscale modeling technique.

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Section: Repulsion Parametermentioning

confidence: 99%

Section: Multiphase Flows In Pore-scale Fracture Network and Porous Mmentioning

confidence: 99%

Dissipative Particle Dynamics (DPD): An Overview and Recent Developments

Liu

Zhou

et al. 2014

Arch Computat Methods Eng

178

101

View full text Add to dashboard Cite

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“…Therefore, it is expected to use the multiscale simulation strategies to bridge the models and simulation techniques across the atomic-scale to microscale. Several approaches have been proposed, such as Dissipative Particle Dynamics (DPD) method 16,17 and…”

Section: Introductionmentioning

confidence: 99%

Process Based Large Scale Molecular Dynamic Simulation of a Fuel Cell Catalyst Layer

Xiao

Yuan

Sundén

2012

J. Electrochem. Soc.

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In this paper, a large scale molecular dynamic method for reconstruction of the catalyst layers (CLs) in proton exchange membrane fuel cells is developed as a systematic technique to provide an insight into the self-organized phenomena and the microscopic structure. The proposed Coarse-Grained (CG) method is developed and applied to the step formation process, which follows the preparation of the catalyst-coated membranes (CCMs). The fabrication process is mimicked and evaluated in details with consideration of the interactions of material components at a large scale. By choosing three sizes of the unit box, the relevant configurations of the equilibrium states are compared and analyzed. Furthermore, the primary pores of 2-10 nm in the agglomerates mainly consist of the channel space, which acts as the large networks and could be filled with liquid water. Moreover, various physical parameters are predicted and evaluated for four cases. The active Pt surface areas are also calculated by the current model, and then compared with the experimental data available in the literature. Finally, the pair correlation functions are employed to 2 predict the distributions and hydrophobic properties of the components, providing the information on phase segregation and microscopic structure of the CLs.

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“…Multicomponent, multi-phase systems can be simulated by labeling the particles (1, ….) to identify which component they represent, and using different repulsive interaction strengths (equation 7 [Liu et al, 2007]. This borrows from the physical origins of phase separation in single component fluids (the combination of short range repulsive and longrange attractive atom-atom and molecule-molecule interactions [van der Waals, 1873]).…”

Section: Continuum and Particle Methodsmentioning

confidence: 99%

Particle methods for simulation of subsurface multiphase fluid flow and biogeochemical processes

Meakin

Tartakovsky

Scheibe

et al. 2007

J. Phys.: Conf. Ser.

Self Cite

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A number of particle models that are suitable for simulating multiphase fluid flow and biogeochemical processes have been developed during the last few decades. Here we discuss three of them: a microscopic model -molecular dynamics; a mesoscopic model -dissipative particle dynamics; and a macroscopic model -smoothed particle hydrodynamics. Particle methods are robust and versatile, and it is relatively easy to add additional physical, chemical and biological processes into particle codes. However, the computational efficiency of particle methods is low relative to continuum methods. Multiscale particle methods and hybrid (particle-particle and particle-continuum) methods are needed to improve computational efficiency and make effective use of emerging computational capabilities. These new methods are under development IntroductionThe computational methods used to simulate single-and multi-phase fluid flow can be divided into two general classes: continuum methods and particle methods. Hybrid particle-continuum methods have also been developed, and some models, such as smoothed particle hydrodynamics and lattice Boltzmann models, can be considered to be either continuum or particle methods. Particle models that can be used to simulate single-and multi-phase fluid dynamics include lattice gas models [Frisch et al., 1986], Monte Carlo methods [Bird, 1994], vortex particle methods [Cottett and Koumoutsakos, 2000] and the fluid-particle model [Espanol, 1998]. Here we focus on a microscopic model -molecular dynamics; a mesoscopic model -dissipative particle dynamics; and a macroscopic model -smoothed particle hydrodynamics.

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Dissipative particle dynamics simulation of fluid motion through an unsaturated fracture and fracture junction

Cited by 54 publications

References 42 publications

Dissipative Particle Dynamics (DPD): An Overview and Recent Developments

Dissipative Particle Dynamics (DPD): An Overview and Recent Developments

Process Based Large Scale Molecular Dynamic Simulation of a Fuel Cell Catalyst Layer

Particle methods for simulation of subsurface multiphase fluid flow and biogeochemical processes

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