Thermodynamic model for a reversible desalination cycle using weak polyelectrolyte hydrogels

  title={Thermodynamic model for a reversible desalination cycle using weak polyelectrolyte hydrogels},
  author={Oleg V. Rud and Oleg V. Borisov and Peter Ko{\vs}ovan},

Water Desalination Using Polyelectrolyte Hydrogel: Gibbs Ensemble Modeling

Polyelectrolyte hydrogels can absorb a large amount of water across an osmotic membrane as a result of their swelling pressure. On the other hand, the insoluble cross-linked hydrogel network enables

Salt partitioning in ionized, thermo-responsive hydrogels: perspective to water desalination.

The prediction of the theory and the experimental results demonstrate that the salt rejection efficiency can be significantly improved if a second water recovery step is performed by a secondary increase in the temperature in the deswelling process.

Poly(sodium acrylate) hydrogels: synthesis of various network architectures, local molecular dynamics, salt partitioning, desalination and simulation.

The local polymer mobility in water is probed in the form of transverse (T2) 1H-relaxation at a low field, which allowed confirming the structural aspects of the studied network topologies, and simulations are performed to determine the degree of swelling and salt partitioning as a function of c0 for different hydrogels.

Simulations of ionization equilibria in weak polyelectrolyte solutions and gels.

The state of the art regarding simulations of ionization equilibria of weak polyelectrolytes solutions and gels is recapitulates and gaps and open problems in the existing simulation literature are identified, and challenges for future development are proposed.

Aqueous Nanoclusters Govern Ion Partitioning in Dense Polymer Membranes

The partitioning of simple monatomic and one molecular ion within a dense, electroneutral poly(N-isopropylacrylamide) membrane using explicit-water molecular dynamics simulations suggests that ionizing a molecule can even enhance the partitioning in a collapsed, rather hydrophobic gel, which strongly challenges the traditional simplistic reasoning.

Grand-Reaction Method for Simulations of Ionization Equilibria Coupled to Ion Partitioning

We developed a new method for coarse-grained simulations of acid-base equilibria in a system coupled to a reservoir at a given pH and concentration of added salt, that we term the Grand-reaction



Energy Consumption for the Desalination of Salt Water Using Polyelectrolyte Hydrogels as the Separation Agent

The energy consumption for a novel desalination approach using charged hydrogels under externally applied pressure is experimentally measured and calculated. The salt separation is based on a partial

A Method for Seawater Desalination via Squeezing Ionic Hydrogels.

In this study, mechanical force applied to squeeze poly(sodium acrylate-co-2-hydroxyethyl methacrylate) hydrogels that contained seawater in order to obtain fresh water to find out whether the sample SA5/HEMA15 owned multi pore structure could be good for the desalination performance.

Modeling of Polyelectrolyte Gels in Equilibrium with Salt Solutions

We use hybrid molecular dynamics/Monte Carlo simulations and coarse-grained polymer models to study the swelling of polyelectrolyte gels in salt solutions. Besides existing industrial applications,

Design of Thermally Responsive Polymeric Hydrogels for Brackish Water Desalination: Effect of Architecture on Swelling, Deswelling, and Salt Rejection.

The ability of utilizing hydrogels synthesized from a temperature-sensitive polymer and a polyelectrolyte to desalinate salt water by means of reversible thermally induced absorption and desorption is explored by tailor-made network structures.

Fast deswelling of nanocomposite polymer hydrogels via magnetic field-induced heating for emerging FO desalination.

This study shows that the magnetic heating is an attractive alternative stimulus for the extraction of highly desirable liquid water from the draw agent in the polymer hydrogel-driven forward osmosis process.

Energy Conversion in Polyelectrolyte Hydrogels.

Using extensive molecular dynamics simulations of polyelectrolyte hydrogels we demonstrate that, on deformation, these hydrogels adjust their deformed state predominantly by altering electrostatic

Collapse-to-Swelling Transitions in pH- and Thermoresponsive Microgels in Aqueous Dispersions: The Thermodynamic Theory

We present a theory of a conformational collapse-to-swelling transition that occurs in aqueous dispersions of multiresponsive (pH- and thermoresponsive) microgels upon variation of ionic strength,

The compressibility of pH-sensitive microgels at the oil-water interface: higher charge leads to less repulsion.

The influence of charges on the interactions between microgels at the oil-water interface is described and the different swelling of the micro gels in the charged and the uncharged states is proposed to be the key parameter.

Polyelectrolyte Gel Swelling and Conductivity vs Counterion Type, Cross-Linking Density, and Solvent Polarity

A joint theoretical and experimental study is devoted to the swelling and electrical conductivity of highly charged polyelectrolyte (PE) gels in media of different polarity. Deprotected