Nonelectrostatic Adsorption of Polyelectrolytes and Mediated Interactions between Solid Surfaces

Balzer, Christopher; Jiang, Jian; Ginzburg, Valeriy V.; Wang, Zhen‐Gang

doi:10.1021/acs.langmuir.1c00139

Cited by 11 publications

(11 citation statements)

References 81 publications

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“…Since the S 0 surface has a negative charge, its electrostatic interactions with the LS polyanion are unlikely. However, as is known, polyelectrolytes can also be adsorbed on similarly charged or neutral surfaces to form more elongated conformations due to repulsion between chains . Since the charge density on the chain (network fragments) of LSNa is greater than that of LSCa, i.e., repulsive forces predominate, as a result, the wetting of the S 0 surface by the LSNa solution is more efficient.…”

Section: Resultsmentioning

confidence: 99%

“…However, as is known, polyelectrolytes can also be adsorbed on similarly charged or neutral surfaces to form more elongated conformations due to repulsion between chains. 56 Since the charge density on the chain (network fragments) of LSNa is greater than that of LSCa, i.e., repulsive forces predominate, as a result, the wetting of the S 0 surface by the LSNa solution is more efficient. At higher LS concentrations, the number of charges decreases and the wetting efficiency naturally decreases.…”

Section: Study Of the Wetting And Dispersing Action And Adsorption Ac...mentioning

confidence: 99%

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Surface Phenomena with the Participation of Sulfite Lignin under Pressure Leaching of Sulfide Materials

Lugovitskaya

Rogozhnikov

2023

Langmuir

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Searching for surfactants which can eliminate the occluding effect of molten elemental sulfur formed in the process of leaching sulfide ores under pressure (autoclave leaching) is relevant. However, the choice and use of surfactants are complicated by the harsh conditions of the autoclave process, as well as the insufficient knowledge of surface phenomena in their presence. This paper presents a comprehensive study of interfacial phenomena (adsorption, wetting, and dispersion) involving surfactants (using lignosulfonates as an example) and zinc sulfide/concentrate/elemental sulfur under conditions simulating sulfuric acid leaching of ores under pressure. The influence of concentration (C LS 0.1−1.28 g/dm 3 ), features of the molecular weight (M̅ w , 9.250−46.300 Da) composition of lignosulfates, temperature (10−80 °C), addition of sulfuric acid (CH 2 SO 4 0.2−10.0 g/dm 3 ), and properties of solid-phase objects (surface charge, specific surface area, presence and diameter of pores) on surface phenomena at the liquid−gas and liquid−solid interfaces was revealed. It was found that with an increase in molecular weight and a decrease in the degree of sulfonation, the surface activity of lignosulfonates at the liquid−gas interface, as well as their wetting and dispersing activity with respect to zinc sulfide/concentrate increases. It has been found that an increase in temperature contributes to the compaction of the macromolecule of lignosulfonates, as a result of which their adsorption at the liquid−gas and liquid−solid interface in neutral media rises. It has been shown that the introduction of sulfuric acid into aqueous solutions increases the wetting, adsorption, and dispersing activity of lignosulfonates with respect to zinc sulfide. The latter is accompanied by a decrease in the contact angle θ (by 10 and 40°) and an increase in both the specific number of zinc sulfide particles (not less than 1.3−1.8 times) and the content of fractions with a size of −3.5 μm. It has been established that the functional effect of lignosulfonates under conditions simulating sulfuric acid autoclave leaching of ores is implemented through the adsorption−wedging mechanism.

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Section: Resultsmentioning

confidence: 99%

Section: Study Of the Wetting And Dispersing Action And Adsorption Ac...mentioning

confidence: 99%

Surface Phenomena with the Participation of Sulfite Lignin under Pressure Leaching of Sulfide Materials

Lugovitskaya

Rogozhnikov

2023

Langmuir

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“…Although the behavior of PE solution-induced interactions shown here seems simple and obvious, it can be very interesting and complicated in other parameter space. [63,64] One can use Atif to explore broad parameter space for better understanding the interaction behaviors of confined systems with different kinds of polymers or/and salts. In this work, we only show one simple example to explain how to calculate the interactions between two surface using Atif.…”

Section: Interactions Between Two Surfaces Mediated By Polyelectrolyte Solutionmentioning

confidence: 99%

Software Package: An Advanced Theoretical Tool for Inhomogeneous Fluids (Atif)

Jiang

2021

Chin J Polym Sci

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In spite of the impending flattening of Moore's law, the complexity and size of the systems we are interested in keep on increasing. This challenges the computer simulation tools due to the expensive computational cost. Fortunately, advanced theoretical methods can be considered as alternatives to accurately and efficiently capture the structural and thermodynamic properties of complex inhomogeneous fluids. In the last decades, classical density functional theory (cDFT) has proven to be a sophisticated, robust, and efficient approach for studying complex inhomogeneous fluids. In this work, we present a pedagogical introduction to a broadly accessible open-source density functional theory software package named "an advanced theoretical tool for inhomogeneous fluids" (Atif) and of the underlying theory. To demonstrate Atif, we take three cases as examples using a typical laptop computer: (i) electric double-layer of asymmetric electrolytes; (ii) adsorptions of sequencedefined semiflexible polyelectrolytes on an oppositely charged surface; and (iii) interactions between surfaces mediated by polyelectrolytes. We believe that this pedagogical introduction will lower the barrier to entry to the use of Atif by experimental as well as theoretical groups. A companion website, which provides all of the relevant sources including codes and examples, is attached.

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“…Correlation effects due to electrostatic interactions and the excluded volume of ionic species are typically ignored in mean-field calculations but are responsible for a myriad of nontrivial phenomena in soft-matter systems. , Such effects become particularly prominent for systems containing multivalent ions as well as for monovalent electrolytes at high ion concentrations. − The presence of multivalent ions may induce charge inversion near electrified walls, , adsorption of polyelectrolytes onto a like-charged surface, − reversible swelling and collapse of polymer gels, and the condensation of a high-molecular weight DNA into a compact state. , …”

Section: Introductionmentioning

confidence: 99%

Unveiling the Role of Electrostatic Forces on Attraction between Opposing Polyelectrolyte Brushes

Prusty,

Gallegos,

2024

Langmuir

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Electrostatic interaction and molecular excluded-volume effects are responsible for a plethora of nonintuitive phenomena in soft-matter systems, including local charge inversion and attraction between similar charges. In the current work, we study the surface forces and swelling behavior of opposing polyelectrolyte brushes using a classical density functional theory that accounts for electrostatic and excluded-volume correlations. We observe that the detachment pressure between similarly charged brushes is sensitive to salt concentration in both the osmotic and salted regimes and can be negative in the presence of multivalent counterions. A comparison of the theoretical results with the mean-field predictions unravels the role of correlation effects in determining the surface forces and brush structure. For systems containing multivalent counterions, the detachment pressure attains negative values at an intermediate brush–brush separation, and the attractive region in the pressure vs distance plot is magnified in terms of both the depth and width of attraction with increasing counterion valency. However, the interbrush attraction vanishes when the size-induced correlations are switched off. We also investigated the role of counterion size and polymer chain length on the detachment pressure. It is found that smaller counterions are more effective in neutralizing the polymer charge than bigger counterions, leading to a reduced interbrush repulsion and, in some cases, attraction between like-charged brushes at intermediate distances. Meanwhile, varying the chain length of the grafted polymers only shifts the location of the attraction basin, with little influence on the interaction strength. The theoretical predictions show qualitative agreement with experimental observations and offer valuable insights into the interaction between similarly charged polymer brushes in the presence of multivalent ions.

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Nonelectrostatic Adsorption of Polyelectrolytes and Mediated Interactions between Solid Surfaces

Cited by 11 publications

References 81 publications

Surface Phenomena with the Participation of Sulfite Lignin under Pressure Leaching of Sulfide Materials

Surface Phenomena with the Participation of Sulfite Lignin under Pressure Leaching of Sulfide Materials

Software Package: An Advanced Theoretical Tool for Inhomogeneous Fluids (Atif)

Unveiling the Role of Electrostatic Forces on Attraction between Opposing Polyelectrolyte Brushes

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