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Histogram-reweighting Monte Carlo simulations were used to obtain polymer / solvent phase diagrams for lattice homopolymers of chain lengths up to r=1000 monomers. The simulation technique was based on performing a series of grand canonical…

Soft Condensed Matter · Physics 2009-10-30 Athanassios Z. Panagiotopoulos , Vicky Wong , M. Antonio Floriano

The interplay of nematic order and phase separation in solutions of semiflexible polymers in solvents of variable quality is investigated by density functional theory (DFT) and molecular dynamics (MD) simulations. We studied coarse-grained…

Soft Condensed Matter · Physics 2019-09-04 Jiarul Midya , Sergei A. Egorov , Kurt Binder , Arash Nikoubashman

We study analytically a continuum model for phase-separation in binary polymer blends based on the Flory-Huggins-De Gennes free energy, by means of the self-consistent large-$n$ limit approach. The model is solved for values of the…

Statistical Mechanics · Physics 2009-10-30 Claudio Castellano , Federico Corberi

Differences in activities in colloidal particles are sufficient to drive phase separation between active and passive (or less active) particles, even if they have only excluded volume interactions. In this paper, we study the phase…

Soft Condensed Matter · Physics 2020-05-27 Efe Ilker , Jean-François Joanny

We consider here a blend made of two types of polymers, $A$ and $B$, of different chemical nature. At high temperature the homogeneous mixture is cross-linked. As the temperature is lowered, the two species try to segregate but are kept…

Condensed Matter · Physics 2015-06-25 Edilson Vargas , Marcia C. Barbosa

We present a field-theoretic renormalization group analysis of a polymer chain immersed in a binary good solvent close to its critical demixing point. We first show that this problem can be mapped on a bicritical field theory, i.e. a…

Statistical Mechanics · Physics 2009-10-31 M. Stapper , T. A. Vilgis

We propose a new coarse-grained model for the description of liquid-vapor phase separation of colloid-polymer mixtures. The hard-sphere repulsion between colloids and between colloids and polymers, which is used in the well-known…

Soft Condensed Matter · Physics 2009-11-13 Jochen Zausch , Peter Virnau , Kurt Binder , Juergen Horbach , Richard L. Vink

We computed the phase-separation behavior and effective interactions of colloid-polymer mixtures in the "protein limit", where the polymer radius of gyration is much larger than the colloid radius. For ideal polymers, the critical colloidal…

Soft Condensed Matter · Physics 2009-11-07 Peter G. Bolhuis , Evert Jan Meijer , Ard A. Louis

My means of extensive Monte Carlo simulations the mean radius of gyration and the end-to-end distance are calculated for a single chain in a solvent over a broad range of volume fractions, pressures and temperatures. Our results indicate…

Statistical Mechanics · Physics 2007-05-23 C. Ortiz-Estrada , G. Luna-Barcenas , G. Ramirez-Santiago , I. C. Sanchez , J. F. Alvarado

Spontaneous liquid-liquid phase separation is commonly understood in terms of phenomenological mean-field theories. These theories correctly predict the structural features of the fluid at sufficiently long time scales and wavelengths.…

Soft Condensed Matter · Physics 2019-07-11 Charley Schaefer , Stefan Paquay , Tom C. B. McLeish

It is commonly accepted that in concentrated solutions or melts high-molecular weight polymers display random-walk conformational properties without long-range correlations between subsequent bonds. This absence of memory means, for…

Soft Condensed Matter · Physics 2009-11-11 J. P. Wittmer , P. Beckrich , F. Crevel , C. C. Huang , A. Cavallo , T. Kreer , H. Meyer

Colloid-polymer mixtures may undergo either fluid-fluid phase separation or gelation. This depends on the depth of the quench (polymer concentration) and polymer-colloid size ratio. We present a real-space study of dynamics in phase…

Soft Condensed Matter · Physics 2012-09-19 Isla Zhang , C. Patrick Royall , Paul Bartlett , Malcolm A. Faers

We perform molecular-dynamics simulations for polymer melts of the coarse-grained polyvinyl alcohol model that crystallizes upon slow cooling. To establish the properties of its high temperature liquid state as a reference point, we…

Soft Condensed Matter · Physics 2018-11-14 Sara Jabbari-Farouji

We examine the phase transition of polymer adsorption as well as the underlying kinetics of polymer binding from dilute solutions on a structureless solid surface. The emphasis is put on the properties of regular multiblock copolymers,…

Soft Condensed Matter · Physics 2009-09-03 A. Milchev , V. Rostiashvili , S. Bhattacharya , T. Vilgis

Complex coacervation, known as the liquid-liquid phase separation of solutions with oppositely charged polyelectrolytes, has attracted substantial interest in recent years. We study the effect of the charge regulation (CR) mechanism on the…

Soft Condensed Matter · Physics 2021-07-23 Bin Zheng , Yael Avni , David Andelman , Rudolf Podgornik

From experimental studies it is well-known that colloidal particles suspended in a near-critical binary solvent exhibit interesting aggregation phenomena, often associated with colloidal phase transitions, and assumed to be driven by…

Soft Condensed Matter · Physics 2015-06-19 John R. Edison , Nikos Tasios , Simone Belli , Robert Evans , Rene van Roij , Marjolein Dijkstra

We study self-avoiding walks on the square lattice restricted to a square box of side $L$ weighted by a length fugacity without restriction of their end points. This models a confined polymer in dilute solution. The model admits a phase…

Statistical Mechanics · Physics 2022-07-22 C. J. Bradly , A. L. Owczarek

We use molecular dynamics simulations to study the static properties of a single linear multiblock copolymer chain under poor solvent conditions varying the block length $N$, the number of blocks $n$, and the solvent quality by variation of…

Soft Condensed Matter · Physics 2015-03-19 N. G. Fytas , P. E. Theodorakis

We study a directed polymer model in a random environment on infinite binary trees. The model is characterized by a phase transition depending on the inverse temperature. We concentrate on the asymptotics of the partition function in the…

Probability · Mathematics 2012-05-04 Tom Alberts , Marcel Ortgiese

We present Monte Carlo simulations of semidilute solutions of long self-attracting chain polymers near their Ising type critical point. The polymers are modeled as monodisperse self-avoiding walks on the simple cubic lattice with attraction…

Soft Condensed Matter · Physics 2009-10-30 H. Frauenkron , P. Grassberger , HLRZ Juelich , Germany