Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics

Coveney, Peter V.; Novik, Keir E.

doi:10.1103/physreve.54.5134

Cited by 130 publications

(110 citation statements)

References 29 publications

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“…A binary mixture composed of particles of two species, 14 A and B, has also been considered by Groot and Warren. 21 In this system, it is possible to induce demixing with usual pairwise forces by modifying the relative repulsions between the A -A, B -B, and B -A pairs.…”

Section: Binary Mixturementioning

confidence: 99%

“…One consequence is that phase separation between disordered phases cannot occur in a pure system; at least a binary mixture of different kinds of particles is needed. 14 We will first consider the general form that the free energy of a DPD system can have, in order to elucidate the generic shape of consistent conservative forces. In agreement with the idea that the DPD particles refer to lumps of fluid, it seems natural to assume that the relevant energy associated to their configurations is a free energy, rather than a strictly ''mechanical'' potential energy.…”

Section: Modelmentioning

confidence: 99%

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Dissipative particle dynamics for interacting systems

Pagonabarraga¹,

Frenkel²

2001

The Journal of Chemical Physics

312

230

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We introduce a dissipative particle dynamics scheme for the dynamics of nonideal fluids. Given a free-energy density that determines the thermodynamics of the system, we derive consistent conservative forces. The use of these effective, density dependent forces reduces the local structure as compared to previously proposed models. This is an important feature in mesoscopic modeling, since it ensures a realistic length and time scale separation in coarse-grained models. We consider in detail the behavior of a van der Waals fluid and a binary mixture with a miscibility gap. We discuss the physical implications of having a single length scale characterizing the interaction range, in particular for the interfacial properties.

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Section: Binary Mixturementioning

confidence: 99%

Section: Modelmentioning

confidence: 99%

Dissipative particle dynamics for interacting systems

Pagonabarraga¹,

Frenkel²

2001

The Journal of Chemical Physics

312

230

View full text Add to dashboard Cite

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“…12 The two earlier stages have also been studied in computer simulations by using dedicated Navier-Stokes solvers, such as LB and lattice gas automata, [13][14][15] and by off-lattice particle-based methods including molecular dynamics ͑MD͒ and dissipative particle dynamics ͑DPD͒. [16][17][18][19][20][21] Other spinodal decomposition processes are less well understood than the idealized situation outlined above, although the basic principles guiding the ongoing investigations remain the same. Dynamical asymmetry of the two mixed fluids, meaning that their viscosities differ significantly or that one component shows viscoelastic behavior, explains the complex phase separation processes and the "phase inversion" phenomenon observed in polymer-solvent mixtures and colloidal suspensions.…”

Section: Introductionmentioning

confidence: 99%

Spinodal decomposition of asymmetric binary fluids in a micro-Couette geometry simulated with molecular dynamics

Thakre

Otter

Padding

et al. 2008

The Journal of Chemical Physics

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Document VersionPublisher's PDF, also known as Version of Record (includes final page, issue and volume numbers) Please check the document version of this publication:• A submitted manuscript is the author's version of the article upon submission and before peer-review. There can be important differences between the submitted version and the official published version of record. People interested in the research are advised to contact the author for the final version of the publication, or visit the DOI to the publisher's website.• The final author version and the galley proof are versions of the publication after peer review.• The final published version features the final layout of the paper including the volume, issue and page numbers. Link to publication General rightsCopyright and moral rights for the publications made accessible in the public portal are retained by the authors and/or other copyright owners and it is a condition of accessing publications that users recognise and abide by the legal requirements associated with these rights.• Users may download and print one copy of any publication from the public portal for the purpose of private study or research.• You may not further distribute the material or use it for any profit-making activity or commercial gain • You may freely distribute the URL identifying the publication in the public portal ? Take down policyIf you believe that this document breaches copyright please contact us providing details, and we will remove access to the work immediately and investigate your claim. The spinodal decomposition of quenched polymer/solvent and liquid-crystal/solvent mixtures in a miniature Taylor-Couette cell has been simulated by molecular dynamics. Three stacking motifs, each reflecting the geometry and symmetry of the cell, are most abundant among the fully phase separated stationary states. At zero or low angular velocity of the inner cylindrical drum, the two segregated domains have a clear preference for the stacking with the lowest free energy and hence the smallest total interfacial tension. For high shear rates, the steady state appears to be determined by a minimum dissipation mechanism, i.e., the mixtures are likely to evolve into the stacking demanding the least mechanical power by the rotating wall. The partial slip at the polymer-solvent interfaces then gives rise to a new pattern: A stack of three concentric cylindrical shells with the viscous polymer layer sandwiched between two solvent layers. Neither of these mechanisms can explain all simulation results, as the separating mixture easily becomes kinetically trapped in a long-lived suboptimal configuration. The phase separation process is observed to proceed faster under shear than in a quiescent mixture. Related Articles

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“…This makes the method a powerful tool for solving problems over a wide range of length and time scales. It has been successfully employed to simulate colloidal suspensions, 10 polymer solutions, 11 binary immiscible fluids, 12 and drops in shear flow. 13 It has also been utilized to simulate multiphase phenomena at submicron scales, such as the breakup of liquid nanocylinders 14 and liquid nanojets.…”

Section: Introductionmentioning

confidence: 99%

Dissipative-particle dynamics simulations of flow over a stationary sphere in compliant channels

Reddy

Abraham

2009

Physics of Fluids

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Dissipative-particle dynamics ͑DPD͒, a particle-based fluid-simulation approach, is employed to simulate isothermal pressure-driven flow across a sphere in compliant cylindrical channels. The sphere is represented by frozen DPD particles, while the surrounding fluid is modeled using simple fluid particles. The channel walls are made up of interconnected finite extensible nonlinear elastic bead-spring chains. The wall particles at the inlet and outlet ends of the channel are frozen so as to hinge the channel. The model is assessed for accuracy by computing the drag coefficient C D in shear flow past a uniform sphere in unbounded flow, and comparing the results with those from correlations in literature. The effect of the aspect ratio of the channel, i.e., the ratio of the sphere diameter d to the channel diameter D, on the drag force F D on the sphere is investigated, and it is found that F D decreases as decreases toward the values predicted by the correlations as approaches zero. The effect of the elasticity of the wall is also studied. It is observed that as the wall becomes more elastic, there is a decrease in F D on the sphere.

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Computer simulations of domain growth and phase separation in two-dimensional binary immiscible fluids using dissipative particle dynamics

Cited by 130 publications

References 29 publications

Dissipative particle dynamics for interacting systems

Dissipative particle dynamics for interacting systems

Spinodal decomposition of asymmetric binary fluids in a micro-Couette geometry simulated with molecular dynamics

Dissipative-particle dynamics simulations of flow over a stationary sphere in compliant channels

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