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A coarse-grained model for solutions of polymers in supercritical fluids is introduced and applied to the system of hexadecane and carbon dioxide as a representative example. Fitting parameters of the model to the gas-liquid critical point…

软凝聚态物质 · 物理学 2009-11-10 P. Virnau , M. Mueller , L. G. MacDowell , K. Binder

We use molecular dynamics (MD) to simulate an unstable homogeneous mixture of binary fluids (AB), confined in a slit pore of width $D$. The pore walls are assumed to be flat and structureless, and attract one component of the mixture (A)…

无序系统与神经网络 · 物理学 2009-11-11 S. K. Das , S. Puri Jawaharlal , J. Horbach , Kurt Binder

We study the diffusion-driven kinetics of phase separation of a symmetric binary mixture (AB), confined in a thin-film geometry between two parallel walls. We consider cases where (a) both walls preferentially attract the same component…

软凝聚态物质 · 物理学 2009-11-11 Subir K. Das , Sanjay Puri , Juergen Horbach , Kurt Binder

In order to find a measure of the dynamical features of phase separation kinetics during spinodal decomposition of a liquid binary mixture (like water and cyclohexane , water and 2,6 lutidiene or methanol and cyclohexane), we study both the…

软凝聚态物质 · 物理学 2016-04-21 Milan K. Hazra , Sarmistha Sarkar , Biman Bagchi

We carried out three-dimensional simulations, with about 1.4 million particles, of phase segregation in a low density binary fluid mixture, described mesoscopically by energy and momentum conserving Boltzmann-Vlasov equations. Using a…

patt-sol · 物理学 2008-02-03 S. Bastea , J. L. Lebowitz

We present molecular dynamics (MD) results to discuss wetting kinetics in binary fluid mixtures ($A:B=50:50$) undergoing surface-directed spinodal decomposition (SDSD) on an amorphous wall. Our simulations show the formation of a wetting…

软凝聚态物质 · 物理学 2025-12-09 Syed Shuja Hasan Zaidi , Madhu Priya , Sanjay Puri , Prabhat K. Jaiswal

Explicit simulations of fluid mixtures of highly size-dispersed particles are constrained by numerical challenges associated with identifying pair-interaction neighbors. Recent algorithmic developments have ameliorated these difficulties to…

软凝聚态物质 · 物理学 2022-12-07 Joseph M. Monti , Gary S. Grest

Mixtures of glass-forming fluids sometimes exhibit glass-glass phase separation at low temperatures. Here, we use a molecular dynamics simulation to study one of the simplest examples of the glass-glass phase separation. We consider a…

统计力学 · 物理学 2020-04-07 Yuri Oku , Kyohei Takae , Atsushi Ikeda

We present a grand canonical Monte Carlo simulation study of the phase diagram of a Lennard-Jones fluid adsorbed in a fractal and highly porous aerogel. The gel environment is generated from an off-lattice diffusion limited cluster-cluster…

软凝聚态物质 · 物理学 2007-05-23 V. De Grandis , P. Gallo , M. Rovere

Microscopic dynamics of complex fluids in the early stage of spinodal decomposition (SD) is strongly intertwined with the kinetics of structural evolution, which makes a quantitative characterization challenging. In this work, we use x-ray…

We numerically investigate the meniscus-guided coating of a binary fluid mixture containing a solute and a volatile solvent that phase separates via spinodal decomposition. Motivation is the evaporation-driven deposition of material during…

软凝聚态物质 · 物理学 2024-06-12 René de Bruijn , Anton A. Darhuber , Jasper J. Michels , Paul van der Schoot

Phase separation can drive spatial organization of multicomponent mixtures. For instance in developing animal embryos, effective phase separation descriptions have been used to account for the spatial organization of different tissue types.…

软凝聚态物质 · 物理学 2023-01-18 Simon Gsell , Matthias Merkel

A description of phase separation kinetics for solid binary (A,B) mixtures in thin film geometry based on the Kawasaki spin-exchange kinetic Ising model is presented in a discrete lattice molecular field formulation. It is shown that the…

统计力学 · 物理学 2009-11-13 Subir K. Das , Jürgen Horbach , Kurt Binder

Much work has been devoted to analysing thermodynamic models for solid dispersions with a view to identifying regions in the phase diagram where amorphous phase separation or drug recrystallization can occur. However, detailed partial…

软凝聚态物质 · 物理学 2020-06-26 Martin Meere , Giuseppe Pontrelli , Sean McGinty

We study theoretically the evaporation-driven phase separation of a binary fluid mixture in a thin film deposited on a moving substrate, as occurs in meniscus-guided deposition for solution-processed materials. Our focus is on rapid…

软凝聚态物质 · 物理学 2024-07-01 René de Bruijn , Anton A. Darhuber , Jasper J. Michels , Paul van der Schoot

In this paper the evolution of a binary mixture in a thin-film geometry with a wall at the top and bottom is considered. By bringing the mixture into its miscibility gap so that no spinodal decomposition occurs in the bulk, a slight…

流体动力学 · 物理学 2014-02-28 Matthew G. Hennessy , Victor M. Burlakov , Alain Goriely , Andreas Münch , Barbara Wagner

We study spinodal phase separation in unstable thin liquid films on chemically disordered substrates via simulations of the thin-film equation. The disorder is characterized by immobile patches of varying size and Hamaker constant. The…

软凝聚态物质 · 物理学 2019-03-27 Manish Vashishtha , Prabhat K. Jaiswal , Rajesh Khanna , Sanjay Puri , Ashutosh Sharma

We present results from extensive 3-d molecular dynamics (MD) simulations of phase separation kinetics in fluids. A coarse-graining procedure is used to obtain state-of-the-art MD results. We observe an extended period of temporally linear…

统计力学 · 物理学 2015-05-19 Shaista Ahmad , Subir K. Das , Sanjay Puri

Lattice Boltzmann simulations are used to investigate spinodal decomposition in a two-dimensional binary fluid with equilibrium lamellar and droplet phases. We emphasise the importance of hydrodynamic flow to the phase separation kinetics.…

软凝聚态物质 · 物理学 2009-10-31 G. Gonnella , E. Orlandini , J. M. Yeomans

The phase separation of a simple binary mixture of incompatible linear polymers in solution is investigated using an extension of the sedimentation equilibrium method, whereby the osmotic pressure of the mixture is extracted from the…

软凝聚态物质 · 物理学 2009-09-29 Chris I. Addison , Pierre-Arnaud Artola , Jean-Pierre Hansen , Ard A. Louis
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