Dynamics of a drop at a liquid/solid interface in simple shear fields: A mesoscopic simulation study

Jones, Janette L.; Lal, Madan; Ruddock, J. Noel; Spenley, N. A.

doi:10.1039/a901273g

Cited by 81 publications

(69 citation statements)

References 18 publications

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“…From its original formulation (15), it has now developed into a simulation model with a statistical mechanical basis (16,17). Applications of the technique include the determination of the phase behavior of polymer melts (17) and surfactant solutions (18), rheology of polymer solutions (19), spinodal decomposition (20,21), flow through model porous media (22), drop dynamics (23), and various aspects of colloidal suspensions: rheology (7,24), polymer adsorption (25), and depletion interactions (22). We will describe the basic model slightly differently than in (7,22,24); for more details we refer to (23,25).…”

Section: Dissipative Particle Dynamics Simulationmentioning

confidence: 99%

Rheology of Dilute Suspensions of Hard Platelike Colloids

Kooij

Boek

Philipse

2001

Journal of Colloid and Interface Science

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Section: Dissipative Particle Dynamics Simulationmentioning

confidence: 99%

Rheology of Dilute Suspensions of Hard Platelike Colloids

Kooij

Boek

Philipse

2001

Journal of Colloid and Interface Science

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“…The basic simulation method is derived from that described by Groot and Warren (10), which was later extended to a two-component mixture by Jones et al (11). The brief description given here is designed to highlight the main differences of our proposed model to those workers.…”

Section: Simulation Modelmentioning

confidence: 98%

“…From this point our model follows Jones et al (11) The total force acting on particle i is the sum of three contributions from the conservative F C i j , dissipative F D i j , and fluctuation F R i j forces:…”

Section: Simulation Modelmentioning

confidence: 99%

“…The mass of the "colloidal" particles, m 1 , was adjusted to match the density of the "fluid." To update the particle positions we used the modified velocity-Verlet algorithm described by Groot and Warren (10) as implemented by Jones et al (11),…”

Section: Simulation Modelmentioning

confidence: 99%

“…For systems including two types of particle, the quantities α and γ each have three independent values α 11 , α 12 , α 22 and γ 11 , γ 12 , γ 22 (11). Following Groot and Warren we performed most of our simulations at a DPD fluid density ρ 2 = N 2 /V 2 = 3.0.…”

Section: Simulation Modelmentioning

confidence: 99%

See 2 more Smart Citations

On Simulating Colloids by Dissipative Particle Dynamics: Issues and Complications

Whittle

Dickinson

2001

Journal of Colloid and Interface Science

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Dissipative Particle Dynamics

Pivkin

Caswell

Karniadakisa

2010

Reviews in Computational Chemistry

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Dissipative Particle Dynamics (DPD) is a mesoscopic simulation method, potentially very effective in simulating mesoscale hydrodynamics and soft matter. This thesis addresses open theoretical and algorithmic questions of DPD and demonstrates the new developments with applications to blood flow in health as well as in sickle cell anemia. The first part investigates the intrinsic relation of DPD to the microscopic Molecular Dynamics (MD) method through the Mori-Zwanzig theory. We provide a physical explanation for the dissipative and random forces by constructing a mesoscopic system directly from a microscopic one. The relationship between DPD and MD is quantified and the many-body effect on the hydrodynamics of the coarsegrained system is discussed. We then address algorithmic issues and develop a simple approach for imposing proper no-slip boundary conditions for wall-bounded fluid systems and outflow boundary conditions for open fluid systems. The second part deals with blood flow applications. First, we use DPD and multi-scale red blood cell models to investigate the transition of blood flow from Newtonian to non-Newtonian behavior as the arteriole size decreases. Then, we develop a multi-scale model for the sickle red blood cells (RBCs), accounting for diversity in shapes and polymerization of hemoglobin. Subsequently, we use this model to investigate abnormal rheology and hemodynamics of the sickle blood flow under different physiological conditions.Despite the increased flow resistance, no occlusion was observed in a straight tube under any conditions unless an adhesive dynamics model was explicitly incorporated into our simulations. This new adhesion model includes both sickle RBCs as well as leukocytes. The former interact with the vascular endothelium, with the deformable sickle cells (SS2) exhibiting larger adhesion. The adherent SS2 cells further trap rigid irreversible sickle cells (SS4) resulting in vaso-occlusion in vessels less than 15µm. Under inflammation, adherent leukocytes may also trap SS4 cells resulting in vaso-occlusion in even larger vessels.

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Dynamics of a drop at a liquid/solid interface in simple shear fields: A mesoscopic simulation study

Cited by 81 publications

References 18 publications

Rheology of Dilute Suspensions of Hard Platelike Colloids

Rheology of Dilute Suspensions of Hard Platelike Colloids

On Simulating Colloids by Dissipative Particle Dynamics: Issues and Complications

Dissipative Particle Dynamics

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