Related papers: Behavior of hydrophobic ionic liquids as liquid me…
Ionic liquids (ILs) are salts that are liquid close to room temperature. Their possible applications are numerous, e.g., as solvents for green chemistry in various electrochemical devices, and even for such "exotic" purposes as…
We demonstrate, on the basis of molecular dynamics simulations, the possibility of an efficient water-ethanol separation using nanoporous carbon membranes, namely carbon nanotube membranes, nanoporous graphene sheets, and multilayer…
Efficient and sustainable techniques for separating water-methanol mixtures are in high demand in the industry. Recent studies have revealed that membranes and 2D materials could achieve such separation. In our research, we explore the…
Selective ion transport is a hallmark of biological ion channel behavior but is a major challenge to engineer into artificial membranes. Here, we demonstrate, with all-atom molecular dynamics simulations, that bare graphene nanopores yield…
Ionic liquids constrained at interfaces or restricted in subnanometric pores are increasingly employed in modern technologies, including energy applications. Understanding the details of their behavior in these conditions is therefore…
In ion-exchange membrane processes, ions and water flow under the influence of gradients in hydrostatic pressure, ion chemical potential, and electrical potential (voltage), leading to solvent flow, ionic fluxes and ionic current. At the…
Separation of salt ions from seawater using graphene oxide (GO) membrane is an emerging desalination method. Here, we investigate the dynamic behavior of water, sodium, and chloride ions inside GO membrane using a computational approach.…
Using graphene as a tuneable optical material enables a series of optical devices such as switchable radar absorbers, variable infrared emissivity surfaces, or visible electrochromic devices. These devices rely on controlling the charge…
Accelerated muon beams have been considered for next-generation studies of high-energy lepton-antilepton collisions and neutrino oscillations. However, high-brightness muon beams have not yet been produced. The main challenge for muon…
We carried out a study of the pressure dependence of the solidification temperature in nine pressure transmitting media that are liquid at ambient temperature, under pressures up to 2.3 GPa. These fluids are: 1:1 isopentane/n-pentane, 4:6…
Structural, dynamical, bonding, and electronic properties of water molecules around a soluted methane molecule are studied from first principles. The results are compatible with experiments and qualitatively support the conclusions of…
Methodology for calculating the profile and emittance of a particle beam as it is slowed down in matter, including the effects of multiple scattering, axial magnetic field and lithium lens. Strategies are determined for minimum final…
Polyamide membranes, such as nanofiltration (NF) and reverse osmosis (RO) membranes, are widely used for water desalination and purification. However, the mechanisms of solute transport and solute rejection due to charge interactions remain…
The thermal performance of high heat flux components in a fusion reactor could be enhanced significantly by the use of nanofluid coolants, suspensions of a liquid with low concentrations of solid nanoparticles. However, before they are…
Scale-up of flow-electrode capacitive deionization is hindered due to the reliance on thick brittle graphite current collectors. Inspired by developments of electrochemical technologies we present the use of flexible membrane electrode…
We study the vapour-liquid phase behaviour of an ionic fluid confined in a random porous matrix formed by uncharged hard sphere particles. The ionic fluid is modelled as an equimolar binary mixture of oppositely charged equisized hard…
Harvesting waste heat with temperatures lower than 100 oC can improve system efficiency and reduce greenhouse gas emissions, yet it has been a longstanding and challenging task. Electrochemical methods for harvesting low-grade heat have…
Ice Ih has been studied by path-integral molecular dynamics simulations, using the effective q-TIP4P/F potential model for flexible water. This has allowed us to analyze finite-temperature quantum effects in this solid phase from 25 to 300…
On-chip measurement of thermo-optic coefficient (TOC) of samples along with on-chip temperature measurements can be used to compensate for thermal fluctuation induced noise in refractometry using integrated photonic sensors. In this article…
We study how the choice of input data affects simulations of positive streamers in humid air, focusing on H2O cross sections, photoionization models, and chemistry sets. Simulations are performed in air with a mole fraction of 0%, 3% or 10%…