An RSA study of dimers

Abstract

The first theoretical study of a dimers adsorption process at homogeneous surface is presented. By using the RSA algorithm, we show example monolayers, discuss estimations of random jamming coverage and measure the surface blocking function, which could be used for calculating real systems kinetics. We also found the correlation function for generated coverages and analysed orientational ordering inside the adsorbed monolayer. Results were compared with theoretical and experimental data.

Domain Structure Created by Irreversible Adsorption of Dimers

“…This model was chosen because it is the simlest numerical model of anisotropic particle. Moreover, it has been carefully studied and basic properties of the adsorbed layers are well known [1,2]. It can be also used as a coarse-grained model for some biomolecules [11].…”

“…For each set of parameters, 20 to 100 independent simulations were performed. Parameters of electrostatic potential (1) were chosen based on [2] to describe typical experimental conditions of water solutions. Therefore, the thermal energy k B T at a room temperature acts as energy unit and ǫ r = 78.…”

“…As far as we know, such ordering hasnt been investigated before. Although local ordering has been reported in earlier numerical studies on dimer adsorption [1,2], not even basic properties of orientationally ordered domains have been further investigated. Here, we focus on domain sizes and their spatial distribution for different range of repulsive interaction between adsorbed particles.…”

“…On the other hand, anisotropic particles can form orientationally ordered layers even on flat, homogeneous surfaces. Ordering can originate from non-uniform alignment of particles in a bulk phase [10] or appear spontaneously in a form of ordered domains. The second is the subject of investigation in our study.…”

“…This study, however, focuses on random adsorption of dimers on flat, homogeneous surfaces. It has been observed that despite the lack of global orientational ordering, adsorbed dimers may form local, orientationally ordered structures [1,2]. Our investigations focus on the dependence between domain size distribution and environmental parameters such as ionic strength, which affects the range of electrostatic interaction between molecules.…”