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An extension of the well established Reverse Monte Carlo (RMC) method for modeling systems under close confinement has been developed. The method overcomes limitations induced by close confinement in systems such as fluids adsorbed in…

Disordered Systems and Neural Networks · Physics 2015-06-17 V. Sanchez-Gil , E. G. Noya , E. Lomba

We consider the properties of a self-avoiding polymer chain, adsorbed on a solid attractive substrate which is attached with one end to a pulling force. The conformational properties of such chain and its phase behavior are treated within a…

Soft Condensed Matter · Physics 2009-04-01 S. Bhattacharya , V. G. Rostiashvili , A. Milchev , T. A. Vilgis

By employing monomer-resolved computer simulations and analytical considerations based on polymer scaling theory, we analyze the conformations and interactions of multiarm star polymers strongly adsorbed on a smooth, two-dimensional plane.…

Soft Condensed Matter · Physics 2015-06-15 S. A. Egorov , J. Paturej , C. N. Likos , A. Milchev

Using the Fundamental-Measure Density Functional Theory, we have studied theoretically the phase behavior of extremely confined mixtures of parallel hard squares in slit geometry. The pore width is chosen such that configurations consisting…

Soft Condensed Matter · Physics 2020-01-09 Yuri Martinez-Raton , Enrique Velasco

The adsorption of a near-critical fluid confined in a slit pore is investigated by means of density functional theory and by Monte Carlo simulation for a Lennard-Jones fluid. Our work was stimulated by recent experiments for SF_6 adsorbed…

Statistical Mechanics · Physics 2009-10-31 A. Maciolek , R. Evans , N. B. Wilding

Lattice model of directed self avoiding walk has been solved analytically to investigate adsorption desorption phase transition behaviour of a semiflexible sequential copolymer chain on a two dimensional impenetrable surface perpendicular…

Statistical Mechanics · Physics 2010-02-23 Pramod Kumar Mishra

Hydrophobically modified polymers are good candidates for the stabilization of liquid interfaces thanks to the high anchoring energy of the hydrophobic parts. In this article we probe the interfacial anchoring of a series of home-made…

Applied Physics · Physics 2019-03-04 C. Trégouët , Thomas Salez , N. Pantoustier , P. Perrin , M. Reyssat , C. Monteux

We compare the thermodynamic behavior of a finite single nongrafted polymer near an attractive substrate with that of a polymer grafted to that substrate. After we recently found first-order-like signatures in the microcanonical entropy at…

Statistical Mechanics · Physics 2011-11-29 Monika Möddel , Wolfhard Janke , Michael Bachmann

Using extensive Monte Carlo simulations, we investigate the surface adsorption of self-avoiding trails on the triangular lattice with two- and three-body on-site monomer-monomer interactions. In the parameter space of two-body, three-body,…

Statistical Mechanics · Physics 2020-01-01 Nathann T. Rodrigues , Tiago J. Oliveira , Thomas Prellberg , Aleksander L. Owczarek

We study the adsorption of polymer chains on a fluctuating surface. Physical examples are provided by polymer adsorption at the rough interface between two non-miscible liquids, or on a membrane. In a mean-field approach, we find that the…

Condensed Matter · Physics 2009-10-22 T. Garel , Mehran Kardar , H. Orland

The behavior of highly charged short rod-like polyelectrolytes near oppositely charged planar surfaces is investigated by means of Monte Carlo simulations. A detailed microstructural study, including monomer and fluid charge distribution,…

Soft Condensed Matter · Physics 2009-11-11 Rene Messina

The force-assisted desorption kinetics of a macromolecule from adhesive surface is studied theoretically, using the notion of tensile (Pincus) blobs, as well as by means of Monte-Carlo (MC) and Molecular Dynamics (MD) simulations. We show…

Soft Condensed Matter · Physics 2015-06-04 J. Paturej , A. Milchev , V. G. Rostiashvili , T. A. Vilgis

Adsorption of polymers to surfaces is crucial for understanding many fundamental processes in nature. Recent experimental studies indicate that the adsorption dynamics is dominated by non-equilibrium effects. We investigate the adsorption…

Soft Condensed Matter · Physics 2009-05-12 Debabrata Panja , Gerard T. Barkema , Anatoly B. Kolomeisky

Adsorption on a boundary line confining a monolayer of particles self-assembling into clusters is studied by MC simulations. We focus on a system of particles interacting via competing interaction potential in which effectively short-range…

Soft Condensed Matter · Physics 2020-01-22 E. Bildanau , J. Pȩkalski , V. Vikhrenko , A. Ciach

We study the problem of adsorption of self-interacting linear polymers situated in fractal containers that belong to the three-dimensional (3d) Sierpinski gasket (SG) family of fractals. Each member of the 3d SG fractal family has a fractal…

Statistical Mechanics · Physics 2009-11-07 S. Elezovic-Hadzic , I. Zivic , S. Milosevic

We propose a theoretical investigation of the physical adsorption of neutral comb-polymers with an adsorbing skeleton and non-adsorbing side-chains on a flat surface. Such polymers are particularly interesting as "dynamic coating" matrices…

Soft Condensed Matter · Physics 2009-11-11 Anna Sartori , Albert Johner , Jean-Louis Viovy , Jean-Francois Joanny

We have studied the adsorption of neutral polyampholytes on model charged surfaces that have been characterized by contact angle and streaming current measurements. The loop size distributions of adsorbed polymer chains have been obtained…

Soft Condensed Matter · Physics 2009-11-07 F. Ozon , J. -M. di Meglio , J. -F. Joanny

We consider a directed polymer of length $N$ interacting with a linear interface. The monomers carry i.i.d. random charges $(\omega_i)_{i=1}^N$ taking values in $\mathbb{R}$ with mean zero and variance one. Each monomer $i$ contributes an…

Probability · Mathematics 2021-03-09 Francesco Caravenna , Frank den Hollander

In this paper we look at the pinning of a directed polymer by a one-dimensional linear interface carrying random charges. There are two phases, localized and delocalized, depending on the inverse temperature and on the disorder bias. Using…

Probability · Mathematics 2013-06-17 Dimitris Cheliotis , Frank den Hollander

A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…

Soft Condensed Matter · Physics 2009-11-13 Jutta Luettmer-Strathmann , Federica Rampf , Wolfgang Paul , Kurt Binder