Modelling the evaporation of thin films of colloidal suspensions using dynamical density functional theory

Robbins, Mark J.; Archer, Andrew J.; Thiele, Uwe

doi:10.1088/0953-8984/23/41/415102

Cited by 31 publications

(51 citation statements)

References 83 publications

(175 reference statements)

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“…The latter point is important: DDFT can only describe a system falling down a free energy surface: by its nature, since it involves no fluctuations, DDFT cannot describe barrier crossing. To overcome this, some studies 26 have relied on the inclusion of fluctuations in the initial condition for a DDFT calculation but at best this describes a physical system perturbed by an initial, external shock. The results will necessarily be dependent on, e.g., the amplitude and spectrum of the noise and thus is subject to a similar arbitrarity to that of static DFT and for the same reason: both theories are based on equilibrium physics and so cannot naturally describe nonequilibrium states.…”

Section: Discussionmentioning

confidence: 99%

Nucleation of colloids and macromolecules in a finite volume

Lutsko

2012

The Journal of Chemical Physics

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A recently formulated description of homogeneous nucleation for Brownian particles in the over-damped limit based on fluctuating hydrodynamics is used to determine the nucleation pathway, characterized as the most likely path (MLP), for the nucleation of a dense-concentration droplet of globular protein from a dilute solution in a small, finite container. The calculations are performed by directly discretizing the equations for the MLP and it is found that they confirm previous results obtained for infinite systems: the process of homogeneous nucleation begins with a long-wavelength, spatially-extended concentration fluctuation that it condenses to form the pre-critical cluster. This is followed by a classical growth processes. The calculations show that the post-critical growth involves the formation of a depletion zone around the cluster whereas no such depletion is observed in the pre-critical cluster. The approach therefore captures dynamical effects not found in classical Density Functional Theory studies while consistently describing the formation of the pre-critical cluster.

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Section: Discussionmentioning

confidence: 99%

Nucleation of colloids and macromolecules in a finite volume

Lutsko

2012

The Journal of Chemical Physics

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“…In general, most authors agree that patterns of lines that are parallel to the receding contact line result from a stick-slip motion of the contact line that is caused by pinning/depinning events [30,45,55,87]. Branched structures and patterns of lines orthogonal to the contact line (the latter are sometimes called spoke patterns [44,47,55,67,88]) are thought to result from transversal instabilities of the receding contact line (sometimes called fingering instabilities) [51,[89][90][91].…”

Section: Modelsmentioning

confidence: 99%

Patterned deposition at moving contact lines

Thiele

2014

Advances in Colloid and Interface Science

112

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When a simple or complex liquid recedes from a smooth solid substrate it often leaves a homogeneous or structured deposit behind. In the case of a receding non-volatile pure liquid the deposit might be a liquid film or an arrangement of droplets depending on the receding speed of the meniscus and the wetting properties of the system. For complex liquids with volatile components as, e.g., polymer solutions and particle or surfactant suspensions, the deposit might be a homogeneous or structured layer of solute -with structures ranging from line patterns that can be orthogonal or parallel to the receding contact line via hexagonal or square arrangements of drops to complicated hierarchical structures. We review a number of recent experiments and modelling approaches with a particular focus on mesoscopic hydrodynamic long-wave models. The conclusion highlights open question and speculates about future developments. * Electronic address: u.thiele@lboro.ac.uk;

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“…We obtain (17) whereĉ ij (k) ≡ dr exp(ik · r)c (2) ij (r) is the Fourier transform of the pair direct correlation function. If we assume that the time dependence of the Fourier modes followsρ i (k,t) ∝ exp[ω(k)t], we obtain [69][70][71][72] …”

Section: A Fluid Structure and Linear Stabilitymentioning

confidence: 99%

Solidification in soft-core fluids: Disordered solids from fast solidification fronts

et al. 2014

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Using dynamical density functional theory we calculate the speed of solidification fronts advancing into a quenched two-dimensional model fluid of soft-core particles. We find that solidification fronts can advance via two different mechanisms, depending on the depth of the quench. For shallow quenches, the front propagation is via a nonlinear mechanism. For deep quenches, front propagation is governed by a linear mechanism and in this regime we are able to determine the front speed via a marginal stability analysis. We find that the density modulations generated behind the advancing front have a characteristic scale that differs from the wavelength of the density modulation in thermodynamic equilibrium, i.e., the spacing between the crystal planes in an equilibrium crystal. This leads to the subsequent development of disorder in the solids that are formed. For the onecomponent fluid, the particles are able to rearrange to form a well-ordered crystal, with few defects. However, solidification fronts in a binary mixture exhibiting crystalline phases with square and hexagonal ordering generate solids that are unable to rearrange after the passage of the solidification front and a significant amount of disorder remains in the system.

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Modelling the evaporation of thin films of colloidal suspensions using dynamical density functional theory

Cited by 31 publications

References 83 publications

Nucleation of colloids and macromolecules in a finite volume

Nucleation of colloids and macromolecules in a finite volume

Patterned deposition at moving contact lines

Solidification in soft-core fluids: Disordered solids from fast solidification fronts

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