Search results for "Charge Density"
showing 10 items of 206 documents
Influence of initial treatments of aluminium on the morphological features of electrochemically formed alumina membranes
2003
Abstract The fabrication of alumina membranes by electrochemical oxidation of annealed aluminium was investigated. Porous layers were grown in 0.4 M H3PO4 at −1 and 5 °C at different anodising times. The morphology of the outer surface was found to be dependent on temperature and charge density, with both determining the extent of chemical dissolution of the anodic oxide. The inner-surface morphology was found to depend on the applied voltage only. The chemical dissolution rate of anodic oxide grown on annealed aluminium was found to be lower than that formed on unannealed aluminium under otherwise identical conditions. Such a difference in behaviour is explained in terms of a higher finish…
Static and dynamic light scattering by aqueous polyelectrolyte solutions: effect of molecular weight, charge density and added salt
1990
Abstract Aqueous solutions of quaternized poly(2-vinylpyridine) were investigated by static (SLS) and dynamic (DLS) light scattering over a wide range of polyelectrolyte, c pe , and salt concentrations, c s (10 −3 ≤ c pe ≤ 10 2 gl −1 , 10 −5.5 ≤ c s ≤ 10 −1 moll −1 ). Using DLS the cooperative diffusion coefficient D was measured as a function of c pe and c s . D exhibits a characteristic behaviour in each of three different concentration regimes. In the ‘dilute lattice’ regime, where λ = c pe c s ⪡ 1 , one diffusion coefficient is observed. In the transition regime, where λ ≈ 1, D increases with increasing polyelectrolyte concentration and a slow diffusive mode gradually appears. For λ ⪢ 1…
Acid–Base Properties and Surface Charge Distribution of the Water-Soluble Au102(pMBA)44 Nanocluster
2016
The pKa of the p-mercaptobenzoic acid (pMBA) ligands in the Au102(pMBA)44 nanocluster was measured by using acid–base and IR titration. The observed macroscopic pKa = 6.18 ± 0.05 is significantly more basic than that of free pMBA (pKa = 4.16), and the protonation behavior is anticooperative according to the Hill coefficient n = 0.64 ± 0.04. The cluster is truly water-soluble when more than 22 and insoluble when fewer than 7 ligands are in the deprotonated state. In order to obtain more insight into the anticooperative character, the cluster was modeled at pH ∼6.2 using constant pH molecular dynamics simulations. The pKa values of the individual pMBAs are in the range of 5.18–7.58, depending…
The growth of charged platelets.
2014
Growth models of charged nanoplatelets are investigated with Monte Carlo simulations and simple theory. In a first model, 2-dimensional simulations in the canonical ensemble are used to demonstrate that the growth of a single weakly charged platelet could be limited by its own internal repulsion. The short range attractive interaction in the crystal is modeled with a square well potential while the electrostatic interactions are described with a screened Coulomb potential. The qualitative behavior of this case can also be described by simply balancing the attractive crystal energy with the screened Coulomb repulsion between the crystal sites. This repulsion is a free energy term dominated b…
Monte Carlo Simulations of a Clay Inspired Model Suspension: The Role of Rim Charge
2012
International audience; We present a theoretical investigation of a model clay dispersion in 1-1 salt solutions by varying the particle volume fraction and ionic strength as well as the charge distribution on the clay platelets. The platelets are modeled as discs with charged sites distributed on a hexagonal lattice. The edge sites can be positively charged while the remaining sites are negative giving rise to a strong charge anisotropy. Simulations are carried out using a Monte Carlo method in the canonical ensemble. The interactions between the platelet sites are described with a screened Coulomb potential plus a short range repulsive potential. Simulations show a complex phase behavior. …
Correlating surface forces with surface reactivity of gypsum crystals by atomic force microscopy. Comparison with rheological properties of plaster
2001
Abstract Atomic Force Microscopy (AFM) was used to image the surface reactivity as well as to characterize quantitatively the surface forces between two gypsum (CaSO 4 , 2H 2 O) crystals. Measurements on different crystal faces, which vary in morphology, structure, hydrophilicity, surface charge, were performed in both air and ionic solutions. In ionic solutions, varying the experimental parameters, the ionic nature and the concentration as well as the duration of the contact leads to the conclusion that the adhesion occurs whatever the orientation of faces. Nevertheless, the magnitude of the adhesion of a physical nature (Van der Waals and ionic correlation) depends on the surface charge d…
ChemInform Abstract: Methylium Ions with OPV Chains - New NIR Dyes.
2010
Carbinols, which contain three OPV chains, were generated in convergent syntheses. The extension of the conjugation leads to a bathochromic effect that shifts the absorption from the UV into the visible region. The carbinol series has a convergence limit of the absorption at λmax = 415 nm. The corresponding carbenium ions exhibit a stronger bathochromic shift with the increasing number of repeating units in each chain. Thus, NIR dyes were obtained which show a convergence limit at λmax = 879 nm. The charge distribution in the ground state of the carbocations is discussed on the basis of 13C NMR spectroscopic data.
Quantum chemical calculations of the electron center diffusion in MgO crystals
1996
Large-scale quantum chemical simulations of the diffusion hops of empty cation and anion vacancies, as well as F + and F centers in MgO crystals have been done. The atomic configurations for 224-site cluster and charge density distribution are analyzed for the equilibrium and saddle-point configurations during the defect hops. The relevant activation energy for diffusion increases monotonically in the series V a → F + → F center.
Contact Potentials, Fermi Level Equilibration, and Surface Charging.
2016
This article focuses on contact electrification from thermodynamic equilibration of the electrochemical potential of the electrons of two conductors upon contact. The contact potential difference generated in bimetallic macro- and nanosystems, the Fermi level after the contact, and the amount and location of the charge transferred from one metal to the other are discussed. The three geometries considered are spheres in contact, Janus particles, and core-shell particles. In addition, the force between the two spheres in contact with each other is calculated and is found to be attractive. A simple electrostatic model for calculating charge distribution and potential profiles in both vacuum an…
Effect of cationic polyamidoamine dendrimers on ionic transport through nanochannels
2021
Abstract The effect of polyamidoamine (PAMAM) dendrimers (generations G0–G3) on the ion transport properties of nanochannels (conical and cylindrical) is studied either by surface functionalization or by addition to the electrolyte solution. Surface functionalization with cationic dendrimers lead to inversion of the ion current rectification, indicating the anion selectivity of the modified nanochannels. This anion selectivity increases by immobilizing higher-generation dendrimers, as expected for an increase in the surface density of amino groups. However, compared to PAMAM G2, functionalization with PAMAM G3 results in higher cation and lower anion fluxes. Diffusion experiments of charged…