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Adsorption at a 1-dimensional planar substrate equipped with a localized chemical inhomogeneity is studied within the framework of a continuum interfacial model from the point of view of interfacial morphology and correlation function…

统计力学 · 物理学 2017-08-31 P Jakubczyk , M. Napiorkowski

Computer simulations are employed to investigate the adsorption mechanisms of ethane on both homogeneous and inhomogeneous substrates. For homogeneous surfaces, the full range of surface phase transitions - from incomplete to complete…

软凝聚态物质 · 物理学 2026-04-01 Ł. Baran , D. Tarasewicz , W. Rżysko

We investigate the properties of water along the liquid/vapor coexistence line in the supercooled regime down to the no-man's land. Extensive molecular dynamics simulations of the TIP4P/2005 liquid/vapor interface in the range 198 -- 348 K…

软凝聚态物质 · 物理学 2023-02-15 Alexander Gorfer , Christoph Dellago , Marcello Sega

Several recent imaging experiments access the equilibrium density profiles of interacting particles confined to a two-dimensional substrate. When these particles are in a fluid phase, we show that such data yields precise information…

无序系统与神经网络 · 物理学 2016-08-31 Ankush Sengupta , Surajit Sengupta , Gautam I. Menon

Within the effective interfacial Hamiltonian approach we evaluate the excess line free energy associated with cylinder-shaped droplets sessile on a stripe-like chemical inhomogeneity of a planar substrate. In the case of short-range…

统计力学 · 物理学 2017-09-06 Pawel Jakubczyk Marek Napiorkowski

It is shown that experimentally obtained isotherms of adsorption on solid substrates may be completely reconciled with Lifshitz theory when thermal fluctuations are taken into account. This is achieved within the framework of a…

统计力学 · 物理学 2009-11-07 Jens Vorberg , Stephan Herminghaus , Klaus Mecke

The qualitative solvent- and temperature-dependent conformational behavior of a peptide in the proximity of solid substrates with different adsorption properties is investigated by means of a simple lattice model. The resulting pseudophase…

软凝聚态物质 · 物理学 2007-10-25 Michael Bachmann , Wolfhard Janke

Wetting transitions have been predicted and observed to occur for various combinations of fluids and surfaces. This paper describes the origin of such transitions, for liquid films on solid surfaces, in terms of the gas-surface interaction…

材料科学 · 物理学 2015-05-13 Silvina M. Gatica , Milton W. Cole

We propose a simplified description of fluid adsorption on heterogenenous micropatterned substrates. Using this approach, we are able to rederive results obtained earlier using effective interfacial Hamiltonian methods and predict a number…

凝聚态物理 · 物理学 2009-11-07 C. Rascon , A. O. Parry

We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…

化学物理 · 物理学 2022-11-16 Krishna Jaiswal , Horia Metiu , Vishal Agarwal

Depletion of the liquid density near a solid surface with a weak long-range fluid-surface interaction was studied by computer simulations of the liquid-vapor coexistence of a LJ fluid confined in slitlike pores. In a wide temperature range…

统计力学 · 物理学 2015-06-25 A. Oleinikova , I. Brovchenko , A. Geiger

We study the adsorption-desorption of fluid molecules on a solid substrate by introducing a schematic model in which the adsorption/desorption transition probabilities are given by irreversible kinetic constraints with a tunable violation…

统计力学 · 物理学 2019-11-27 Mauro Sellitto

We consider three fluid phases meeting at a line of common contact and study the linear excesses per unit length of the contact line (the linear adsorptions Lambda_i) of the fluid's components. In any plane perpendicular to the contact…

统计力学 · 物理学 2009-11-10 Y. Djikaev , B. Widom

The behavior of a polyelectrolyte adsorbed on a charged substrate of high-dielectric constant is studied by both Monte-Carlo simulation and analytical methods. It is found that in a low enough ionic strength medium, the adsorption…

软凝聚态物质 · 物理学 2007-05-23 Chi-Ho Cheng , Pik-Yin Lai

We consider various lattice models of polymers: lattice trees, lattice animals, and self-avoiding walks. The polymer interacts with a surface (hyperplane), receiving a unit energy reward for each site in the surface. There is an adsorption…

数学物理 · 物理学 2017-02-01 Neal Madras

In the present work we introduce a generalized lattice-gas model to study the multilayer adsorption of interacting polyatomics on heterogeneous surfaces. Using an approximation in the spirit of the well-known Brunauer--Emmet--Teller (BET)…

Using mesoscopic interfacial models and microscopic density functional theory we study fluid adsorption at a dry wall decorated with three completely wet stripes of width $L$ separated by distances $D_1$ and $D_2$. The stripes interact with…

统计力学 · 物理学 2019-05-02 Alexandr Malijevský , A. O. Parry , Martin Pospíšil

The phase transition of a fluid adsorbed in a heterogeneous system is studied with two simple lattice gas models within the framework of a mean-field theory. Despite the different origin of the heterogeneity (spatial variation of binding…

统计力学 · 物理学 2007-05-23 E. V. Vakarin , W. Dong , J. P. Badiali

We consider a linearly thermoelastic composite medium,which consists of a homogeneous matrix containing a statistically inhomogeneous random set of inclusions, when the concentration of the inclusions is a function of the coordinates…

材料科学 · 物理学 2009-12-22 Valeriy A. Buryachenko

A variety of metal vacuum systems display the celebrated 1/t pressure, namely power-law dependence on time t, with the exponent close to unity, the origin of which has been a long-standing controversy. Here we propose a chemisorption model…

材料科学 · 物理学 2009-04-13 Taekyun Ha , Sukmin Chung , M. Y. Choi
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