Adsorption of flexible polymer chains on a surface: Effects of different solvent conditions

Martins, P. H. L.; Plascak, J. A.; Bachmann, Michael

doi:10.1063/1.5027270

Cited by 17 publications

(15 citation statements)

References 36 publications

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“…It is important to notice that the estimate of φ (s) is highly dependent on the precise location of the adsorption point, but no such argument can be made for the method of estimating 1/δ (s) . However, it is also important to highlight that the presence of strong finitesize corrections seriously affects exponent estimates for the ordinary surface transition, having recently led to claims of non-universality in the case of self-avoiding walks [10,16]. We also find evidence for strong finite-size corrections at the special point.…”

Section: Resultsmentioning

confidence: 59%

“…These findings are relevant with regards to the recently claimed non-universality of the adsorption transition for polymers in the presence of bulk interactions [10,16]. This was based on simulations of relatively short selfavoiding walks of lengths up to 503 steps on the simple cubic lattice.…”

Section: Discussionmentioning

confidence: 76%

“…Recently, there has been renewed interest in the polymer adsorption transition. In [10,16], it was argued based on numerical simulations in three dimensions, that the generally accepted scaling theory for polymer adsorp- * Electronic address: nathan.rodrigues@ufv.br † Electronic address: t.prellberg@qmul.ac.uk ‡ Electronic address: owczarek@unimelb.edu.au tion in terms of a single crossover exponent may break down in the presence of bulk interactions. Specifically, it was claimed that the exponent involved in the temperature scaling of the free energy around the adsorption critical point is distinct from the exponent describing the scaling of the order parameter at this critical point, and moreover that these two exponents are not universal with respect to varying the strength of the bulk interactions.…”

Section: Introductionmentioning

confidence: 99%

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Adsorption of interacting self-avoiding trails in two dimensions

2019

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We investigate the surface adsorption transition of interacting self-avoiding square lattice trails onto a straight boundary line. The character of this adsorption transition depends on the strength of the bulk interaction, which induces a collapse transition of the trails from a swollen to a collapsed phase, separated by a critical state. If the trail is in the critical state, the universality class of the adsorption transition changes; this is known as the special adsorption point. Using flatPERM, a stochastic growth Monte Carlo algorithm, we simulate the adsorption of self-avoiding interacting trails on the square lattice using three different boundary scenarios which differ with respect to the orientation of the boundary and the type of surface interaction. We confirm the expected phase diagram, showing swollen, collapsed, and adsorbed phases in all three scenarios, and confirm universality of the normal adsorption transition at low values of the bulk interaction strength. Intriguingly, we cannot confirm universality of the special adsorption transition. We find different values for the exponents; the most likely explanation is that this is due to the presence of strong corrections to scaling at this point.

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Section: Resultsmentioning

confidence: 59%

Section: Discussionmentioning

confidence: 76%

Section: Introductionmentioning

confidence: 99%

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Adsorption of interacting self-avoiding trails in two dimensions

2019

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“…[4] The behavior of multiblock for ring chains at least at good solvent conditions; the crossover exponent was found the same for both architectures. [71] The critical behavior near the transition from weak to strong adsorption was recently described and discussed, [62,72] thus in this work we focused on the changes in the structure of adsorbed chains governed by the competition of intrachain and surfacechain interactions. The influence of temperature, chain length, sequence of beads, and strength of adsorption on the structure of cyclic polymer chains was studied.…”

Section: Introductionmentioning

confidence: 98%

Adsorption of Linear and Cyclic Multiblock Copolymers from Selective Solvent. A Monte Carlo Study

Rolińska

Sikorski

2020

Macro Theory & Simulations

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copolymers is especially interesting due to the possibility of self-assembling to various interesting forms. [12-14] Rings were studied in real experiments, [15-22] theoretically [23-30] and by means of computer simulation. [3,31-56] It was shown that the size of single rings (infinitely diluted solution) was smaller by a factor of 1/2 when chains without the excluded volume are compared, when compared to linear precursors of the same length. [1] The scaling behavior of a single ring was the same as of linear polymer, N 1.176. The dynamics of cyclic chains was also found to be similar to that of linear chains: their self-diffusion coefficient scales as D ∼ N −1.59[40,43] but dynamics in dense melts are different for these architectures. [1,10,57,58] The collapse transition of single-ring homopolymers has been the subject of a few theoretical studies [27,28] and computer simulations. [48-50,59] These simulations of rings were mainly focused on the comparison of their structure with linear chains. The size of linear and cyclic chain was found to be identical in a low-temperature collapsed state but has been suggested that the low-temperature structure of rings differs from that of linear chains despite being of similar size and can be called "crumpled globule." [46] The collapse process of rings was found to be a one-step process. There were no rearrangements of rings in the dense collapsed globule as these chains do not have ends that migrate in such conditions. The changes of the solvent quality led to the adjustment of a chain conformation. The temperature of the coil-to-globule transition was found to shift toward lower temperatures when the number of blocks increases but the influence of the macromolecular architecture was found to be relatively small. [59] In addition to the chain sequence and the solvent quality, the changes in the polymer structure can be caused by the presence of a surface. [60-63] The process adsorption of linear and cyclic block copolymer chains is very important from a technological point of view as polymers can significantly modify the properties of the surface. Experiments and simulations showed that the size of long strongly adsorbed rings scales as a 2D random walk, i.e., N 3/4 and it tends to stretch parallel to the surface. [60,63-66] It was shown that the adsorption of cyclic homopolymers is stronger than that of linear ones, i.e., the number of polymer-surface contacts is 15-20% higher for rings. [60,67-71] The critical adsorption temperature where a transition from a 3D to 2D structure was found to be slightly higher A systematic study of the adsorption of linear and cyclic chains on a planar surface is carried out through extensive computer simulations. 3D homopolymer and multiblock copolymer chains are studied. No atomic details are taken into consideration and polymer chains are modeled as sequences of statistical segments on a cubic lattice. Adsorption of macromolecules on a homogenous flat surface is studied at different solvent conditions. Homopolymers are built of solvop...

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“…Numerical simulation is thus a useful tool in this field and can be applied to other questions. For the effect of the bulk interaction on polymer adsorption, recent work by Plascak et al [18,19] has suggested that altering the strength of the bulk interactions with respect to the surface interactions has a significant effect on φ and the critical temperature T ads . For the case where the bulk interaction is made increasingly repulsive the critical temperature decreases slightly from the noninteracting case.…”

Section: Introductionmentioning

confidence: 99%

Phase transitions in solvent-dependent polymer adsorption in three dimensions

2019

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We consider the phase diagram of self-avoiding walks (SAW) on the simple cubic lattice subject to surface and bulk interactions, modeling an adsorbing surface and variable solvent quality for a polymer in dilute solution, respectively. We simulate SAWs at specific interaction strengths to focus on locating certain transitions and their critical behavior. By collating these new results with previous results we sketch the complete phase diagram and show how the adsorption transition is affected by changing the bulk interaction strength. This expands on recent work considering how adsorption is affected by solvent quality. We demonstrate that changes in the adsorption crossover exponent coincide with phase boundaries.

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Adsorption of flexible polymer chains on a surface: Effects of different solvent conditions

Cited by 17 publications

References 36 publications

Adsorption of interacting self-avoiding trails in two dimensions

Adsorption of interacting self-avoiding trails in two dimensions

Adsorption of Linear and Cyclic Multiblock Copolymers from Selective Solvent. A Monte Carlo Study

Phase transitions in solvent-dependent polymer adsorption in three dimensions

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