Sharif Digital Repository

Stretching dynamics of polymers in microfluidics is of particular interest for polymer scientists. As a charged polymer, a polyelectrolyte (PE) can be deformed from its coiled equilibrium configuration to an extended chain by applying uniform or nonuniform electric fields. By means of hybrid lattice Boltzmann (LB)-molecular dynamics (MD) simulations, we investigate how the condensed counterions (CIs) around the PE contribute to the polymer stretching in inhomogeneous fields. As an application, we discuss the translocation phenomena and entropic traps, when the driving force is an applied external electric field  

In this article, we report the first multiwalled carbon nanotube-polyelectrolyte gel containing vinylimidazolium-typed ionic liquid monomer as an absorbent of less-polar or nonpolar organic solvents. To prepare such MWCNT-polyelectrolyte gel, the modified MWCNTs with polymerizable vinyl groups on their surfaces were prepared and then underwent copolymerizations with dodecyl methacrylate and vinylimidazolium in the presence of AIBN as initiator, yielding a cross-linked polyelectrolyte. In order to estimate the compatibility between the solvents and the polymers, a series of vinylimidazolium-typed ionic liquid monomers ([Cnvim][X]) with different alkyl tail length (C6, C10 and C12) and counter... 

Novel class of polyelectrolyte gels based on the copolymer of vinylimidazolium-typed ionic liquid monomer and Dodecyl methacrylate was prepared by free radical polymerization. A small amount of 3-n-Dodecyl-1- vinylimidazolium tetrafluoroborate is incorporated into crosslinked polyacrylates to provide new lipophilic polyelectrolyte gels that evaluated for swelling in less-polar and nonpolar organic solvents. Their swelling degree becomes more than 50 times as much as their dried weights in some organic solvents. By varying the polarity of the neutral monomer in these polyelectrolyte gels, the design of gels that can absorb solvents of nearly any polarity is demonstrated. The present... 

We study the hydrodynamic dispersion (HD) by electroosmotic flow in soft microchannels. Considering a fully developed flow in a slit microchannel of low surface potential and adopting the Taylor dispersion theory, we derive analytical solutions for the solute concentration field and the effective dispersion coefficient. We also conduct numerical analyses to broaden the paper's scope to high surface potentials and to specify a criterion for the validity of the Debye-Hückel linearization in soft microconduits as well as to investigate the broadening of an analyte band from the time of injection. It is demonstrated that the effective dispersion coefficient of a neutral solute band is generally... 

In the present study, for the first time, a thermodynamically consistent large deformation theory is developed to model the multi physics problem of axonal swelling which is the hallmark of most of the brain diseases. To this end, the relevant axonal compartments are first explained and the corresponding model parts are introduced. Next, the problem is formulated as an open thermodynamic system and the corresponding constitutive and evolution equations are extracted utilizing the balance laws. Here, a multiplicative decomposition of the deformation gradient is used to capture the active behavior of the axonal actin cortex. Specific free energy functions are given for the model parts to... 

We use an efficient molecular theory approach to study electrokinetic flow within a pH-responsive nanopore grafted with a polyelectrolyte (PE) brush. The flow rate, migration and convective conductance, electric potential and velocity fields, species distributions and the degree of ionization of the weak PE functional groups and nanopore selectivity are obtained and interpreted while considering pH-induced surface charges. The theory is generally based on writing the overall free energy of the system including the entropies arising from the conformations of flexible, excluded volume chains, the mixing of mobile species, electrostatic contribution, and the free energy due to the chemical... 

The electrokinetic energy conversion, electroviscous effect, and induced internal and external magnetic fields in a smart polyelectrolyte grafted "soft"nanopore with pH responsiveness are studied here using an efficient molecular theory approach. The analysis is based on writing the total free energy of the system, including the conformational entropy of the flexible, self-avoiding polymer chains and the translational entropy of the mobile species, the electrostatic interactions, and the free energy due to chemical equilibrium reactions. Then, the free energy is minimized, while satisfying the necessary constraints to find the equilibrium state of the system. The predictions of the model are... 

Mixing in droplets is an essential task in a variety of microfluidic systems. Inspired by electrokinetic mixing, electric field-induced hydrodynamic flow inside a charged droplet embedded in an unbounded polyelectrolyte hydrogel is investigated theoretically. In this study, the polyelectrolyte hydrogel is modeled as a soft, and electrically charged porous solid saturated with a salted Newtonian fluid, and the droplet is considered an incompressible Newtonian fluid. The droplet-hydrogel interface is modeled as a surface, which is located at the plane of shear, with the electrostatic potential ζ. The fluid inside the droplet attains a finite velocity owing to hydrodynamic coupling with the... 

The preparation and characterization of a new type of nanocomposite polyelectrolyte membrane, based on DuPont Nafion/imidazole-modified nanosilica (Im-Si), for direct methanol fuel cell applications is described. Related to the interactions between the protonated imidazole groups, grafted on the surface of nanosilica, and negatively charged sulfonic acid groups of Nafion, new electrostatic interactions can be formed in the interface of Nafion and Im-Si which result in both lower methanol permeability and also higher proton conductivity. Physical characteristics of these manufactured nanocomposite membranes were investigated by scanning electron microscopy, thermogravimetry analysis,... 

The electric-field induced response of a droplet embedded in a quenched polyelectrolyte gel is calculated theoretically. The response comprises the droplet translation and the electric-field induced flow fields within the droplet. The gel is modeled as a soft, and electrically charged porous solid saturated with a salted Newtonian fluid. The droplet is considered an incompressible Newtonian fluid with no free charge. An analytical solution, using the perturbation methodology and linear superposition, is obtained for the leading-order steady response to a DC electric-field. The fluid within the droplet is driven due to hydrodynamic coupling with the electroosmotic flow. The fluid velocity... 

Characterization of droplet-hydrogel interfaces is of crucial importance to engineer droplet-hydrogel composites for a variety of applications. In order to develop electrokinetic diagnostic tools for probing droplet-hydrogel interfaces, the displacement of a charged droplet embedded in a polyelectrolyte hydrogel exposed to an oscillating electric field is determined theoretically. The polyelectrolyte hydrogel is modeled as an incompressible, charged, porous, and elastic solid saturated with a salted Newtonian fluid. The droplet is considered an incompressible Newtonian fluid with no charges within the droplet. The droplet-hydrogel interface is modeled as a surface with the thickness of zero... 

In this paper, we aim to account for the partitioning of finite sized ions and electric double layer (EDL) overlapping effects on the electrostatics and hydrodynamics of soft nanofluidics by stablishing a modified Poisson-Boltzmann (MPB) equation enjoying mean field approach. The application of the present MPB equation enables us to describe the interaction between the steric effect and electrostatic repulsion of EDL ions due to permittivity difference of polyelectrolyte layer (PEL) and electrolyte solution. Utilizing the Debye-Hückel approximation pertinent to low surface potentials, we analytically derive the solutions of electric potential and velocity profiles of mixed electroosmotic and... 

The dispersion of a neutral solute band by electrokinetic flow in polyelectrolyte layer (PEL)-grafted rectangular/slit microchannels is theoretically studied. The flow is assumed to be both steady and fully developed and a first-order irreversible reaction is considered at the wall to account for probable surface adsorption of solutes. Considering low electric potentials, analytical solutions are obtained for electric potential, fluid velocity and solute concentration. Special solutions are also obtained for the case without wall adsorption. To track the dispersion properties of the solute band, the generalized dispersion model is adopted by considering the exchange, the convection and the... 

KMnO4 oxidation combined with polyelectrolyte (K530CF) flocculation was investigated to mitigate membrane fouling in a membrane bioreactor. The optimum dosages of chemical additives in order to enhance the removal of soluble microbial products (SMPs) were determined. This method was able to reduce the concentration of COD in the effluent to 57.1% and 51.1% lower than those in the experiments in the absence of chemical flocculants and in the presence of polyelectrolyte, respectively. NH3-N removal was improved by combining KMnO4 and K530CF. When KMnO4 was used along with polyelectrolyte, the zeta potential was neutralized to a greater extent which resulted in an improvement in the... 

Determination of effective transport properties of droplet-hydrogel composites is essential for various applications. The transport of ions through a droplet-hydrogel composite subjected to an electric field is theoretically studied as an initial step toward quantifying the effective transport properties of droplet-hydrogel composites. A three-phase electrokinetic model is used to derive the microscale characteristics of the polyelectrolyte hydrogel, and the droplet is considered an incompressible Newtonian fluid. The droplet-hydrogel interface is modeled as a surface, which encloses the interior fluid. The surface has the thickness of zero and the electrostatic potential ζ. Standard...