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ion-transport
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Ion Transport Through Graphene Fibers
, M.Sc. Thesis Sharif University of Technology ; Esfandiar, Ali (Supervisor)
Abstract
Nanostructured graphene based membranes demonstrated excellent capabilities in various applications in nanofiltration and energy conversion due to unique atomically smooth surfaces and adjustable pore size or interlayers spacing at Angstrom scales.In addition to graphitic surface and physical confinement on ions in Graphene-oxide (GO) laminates, surface charges on such 2D-slits provide an attractive aspects to have more channels walls interactions with ions. There are some reports on the osmotic power generation using physical confinements and electrostatic interactions between ions and GO membranes. However, the results indicated insufficient power densities (1 W=m2 ) can be achieved...
Molecular Dynamics Simulation of Fluid Flow inside Carbon Nanotubes
, M.Sc. Thesis Sharif University of Technology ; Mousavi, Ali (Supervisor)
Abstract
The transport behavior of water molecules inside a model carbon nanotube is investigated by using nonequilibrium molecular dynamics simulations. The shearing stress between the nanotube wall and the water molecules is identified as a key factor in determining the nanofluidic properties. Due to the effect of nanoscale confinement, the effective shearing stress is not only size sensitive but also strongly dependent on the fluid flow rate. Consequently, the nominal viscosity of the confined water decreases rapidly as the tube radius is reduced or when a faster flow rate is maintained. The effect of ion concentration and temperature rise on fluid flow and shearing stress is also investigated....
Investigation of the Influence of Nanoparticle & Nanofluidic Conduit Geometry on Ionic Transport
, M.Sc. Thesis Sharif University of Technology ; Taghipoor, Mojtaba (Supervisor)
Abstract
Resistive pulse sensing (RPS) has proved to be a viable method for detection and characterization of micro and nano particles. This method works based on ionic current variation inside nanopores. Modern fabrication methods have introduced different nanopore geometries for resistive pulse sensors therefore studing the effects of geometry on sensing performance of nanaopores is important. Numerical simulation has been used to study a wide variation of nanopore’s geometry configurations and study the physics behind this phenomena. Based on the results, numerical simulation could be used as a fast and easy tool for size determination for nanopore. To compare the sensing performance of different...
Mechanism understanding of Li-ion separation using a perovskite-based membrane
, Article Membranes ; Volume 12, Issue 11 , 2022 ; 20770375 (ISSN) ; Habibi, M ; Rezvantalab, S ; Mehdizadeh Chellehbari, Y ; Maleki, R ; Razmjou, A ; Sharif University of Technology
MDPI
2022
Abstract
Lithium ions play a crucial role in the energy storage industry. Finding suitable lithium-ion-conductive membranes is one of the important issues of energy storage studies. Hence, a perovskite-based membrane, Lithium Lanthanum Titanate (LLTO), was innovatively implemented in the presence and absence of solvents to precisely understand the mechanism of lithium ion separation. The ion-selective membrane’s mechanism and the perovskite-based membrane’s efficiency were investigated using Molecular Dynamic (MD) simulation. The results specified that the change in the ambient condition, pH, and temperature led to a shift in LLTO pore sizes. Based on the results, pH plays an undeniable role in...
Simulation of Flow in Graphene Oxide Membrane & Investigation of Restructuring Effect on Flux & Filtration Efficiency By Molecular Dynamics
, M.Sc. Thesis Sharif University of Technology ; Mousavi, Ali (Supervisor)
Abstract
Fresh water has always been one of the basic needs of human. Thus using different methods for water purification becomes more important in recent years. In classic methods such as distillation chamber and thermal method, water flux was always low and salt rejection wasn’t satisfactory. So investigating new methods such as nanofiltration becomes more important. This method has high efficiency and good water flux in compare with old methods. One of the useful materials in nanofiltration is grapheme oxide (GO). GO sheets make an array of nanochannels and this membrane improves filtration and water flux. Different parameters affect water flux and salt rejection in this membrane. Restructuring...
Complete steric exclusion of ions and proton transport through confined monolayer water
, Article Science ; Volume 363, Issue 6423 , 2019 , Pages 145-148 ; 00368075 (ISSN) ; Hu, S ; Esfandiar, A ; Lozada Hidalgo, M ; Wang, F. C ; Yang, Q ; Tyurnina, A. V ; Keerthi, A ; Radha, B ; Geim, A. K ; Sharif University of Technology
American Association for the Advancement of Science
2019
Abstract
It has long been an aspirational goal to create artificial structures that allow fast permeation of water but reject even the smallest hydrated ions, replicating the feat achieved by nature in protein channels (e.g., aquaporins). Despite recent progress in creating nanoscale pores and capillaries, these structures still remain distinctly larger than protein channels. We report capillaries made by effectively extracting one atomic plane from bulk crystals, which leaves a two-dimensional slit of a few angstroms in height. Water moves through these capillaries with little resistance, whereas no permeation could be detected even for such small ions as Na + and Cl − . Only protons (H + ) can...
The impact of the electrical behavior of oil-brine-rock interfaces on the ionic transport rate in a thin film, hydrodynamic pressure, and low salinity waterflooding effect
, Article Colloids and Surfaces A: Physicochemical and Engineering Aspects ; Volume 620 , 2021 ; 09277757 (ISSN) ; Mahani, H ; Niasar, V ; Sharif University of Technology
Elsevier B.V
2021
Abstract
Wettability alteration is the principal low-salinity-effect (LSE) in many oil-brine-rock (OBR) systems. Our recent experimental results have demonstrated that wettability alteration by low salinity is slow. It is expected that the electrical behavior of oil/brine and rock/brine interfaces and the water film geometry control both the transient hydrodynamic pressure, and the time-scale of ionic transport in the film, thus the kinetics and degree of wettability alteration. In this paper, the electro-diffusion process induced by the imposed ionic strength gradient is simulated by solving Poisson-Nernst-Planck equations in a water film bound between two charged surfaces, using a finite...
Transport in droplet-hydrogel composites: response to external stimuli
, Article Colloid and Polymer Science ; Volume 293, Issue 3 , March , 2015 , Pages 941-962 ; 0303402X (ISSN) ; Sharif University of Technology
Springer Verlag
2015
Abstract
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...
Dynamics of electrostatic interaction and electrodiffusion in a charged thin film with nanoscale physicochemical heterogeneity: Implications for low-salinity waterflooding
, Article Colloids and Surfaces A: Physicochemical and Engineering Aspects ; Volume 650 , 2022 ; 09277757 (ISSN) ; Mahani, H ; Niasar, V ; Sharif University of Technology
Elsevier B.V
2022
Abstract
The slow kinetics of wettability alteration toward a more water-wetting state by low-salinity waterflooding (LSWF) in oil-brine-rock (OBR) systems is conjectured to be pertinent to the electrokinetic phenomena in the thin brine film. We hypothesize that the nanoscale physicochemical heterogeneities such as surface roughness and surface charge heterogeneity at the rock/brine interface control further the dynamics of electrodiffusion and electrostatic disjoining pressure (Πel), thus the time-scale and the magnitude of the low salinity effect (LSE). In this regard, film-scale computational fluid dynamics (CFD) simulations were performed. The coupled Poisson-Nernst-Planck (PNP) equations were...