Search results for "Diffusion"

Modeling glass materials

2005

Abstract Structural and dynamic properties of silicate melts and glasses (SiO 2 and its mixtures with Na 2 O and Al 2 O 3 ) are derived from Molecular Dynamics simulations and compared to pertinent experimental data. It is shown that these mixtures exhibit additional intermediate order as compared to pure silica, where the characteristic length scales stem from the tetrahedral network structure. While sodium ions show much faster diffusion through percolating channels than the silicon and oxygen ions forming the surrounding network, aluminium ions are incorporated into the network (leading to tricluster formation) and do not show such an enhanced mobility.

Photoelectric fields in doped lithium niobate crystals

2019

Photoinduced light scattering (PILS) in nominally pure stoichiometric and congruent lithium niobate single crystals (LiNbO3), and ones doped with B³⁺, Cu²⁺, Zn²⁺, Mg²⁺, Gd³⁺, Y³⁺, Er³⁺ cations was studied. All crystals have a relatively low effect of photorefraction and are promising materials for frequency conversion, electro-optical modulators and shutters. It was found that the photovoltaic and diffusion fields for some crystals have a maximum at a wavelength of 514.5 nm. All the crystals studied are characterized by a maximum of the integral intensity of the speckle structure of the PILS at a wavelength of 514.5 nm.

Conformational Changes and Charge Transfer in Biomolecules Resolved Using Dynamic Enhanced Raman Correlation Spectroscopy

2019

International audience; In this contribution, we report that conforma-tional changes of molecules that are often buried in a wide-distributed Gaussian distribution can be discerned by analyzing the dynamics of specific Raman lines. We investigate the pertinence of the auto-and cross-correlation functions applied to the dynamics of three Raman lines of an amino acid, the tryptophan. The cross-correlation between intensity and the Raman band is an indicator of the charge transfer during the diffusion limited reaction of tryptophan and the gold surface. The Pećlet number Pe can provide a valuable indicator of the convective and/or diffusive features of each Raman band. Adsorption induced confo…

Slow dynamics in ion-conducting sodium silicate melts: Simulation and mode-coupling theory

2005

A combination of molecular-dynamics (MD) computer simulation and mode-coupling theory (MCT) is used to elucidate the structure-dynamics relation in sodium-silicate melts (NSx) of varying sodium concentration. Using only the partial static structure factors from the MD as an input, MCT reproduces the large separation in relaxation time scales of the sodium and the silicon/oxygen components. This confirms the idea of sodium diffusion channels which are reflected by a prepeak in the static structure factors around 0.95 A^-1, and shows that it is possible to explain the fast sodium-ion dynamics peculiar to these mixtures using a microscopic theory.

The Mobility of Carbon Atoms in Graphitic Nanoparticles Studied by the Relaxation of Strain in Carbon Onions

2008

Thermodiffusion of sodium polystyrene sulfonate in a supporting electrolyte

2019

Thermodiffusion, or the Soret phenomenon, is well understood in simple systems, but in multicomponent and polyvalent electrolyte systems the process becomes more complicated due to the coupling of fluxes. We experimentally investigate the time evolution of a concentration gradient generated by thermodiffusion of a polyelectrolyte (poly(sodium 4-styrene sulfonate), NaPSS) in a 1:1 supporting electrolyte. We also derive and solve the transport equations that are used to extract the Soret coefficient from the experimental observations. It is shown that NaPSS thermodiffusion in NaCl is strongly dependent on concentration, with almost 100% thermal separation in concentrations below 15 nmol L−1. …

How Electrical Heterogeneity Parameters of Ion-Exchange Membrane Surface Affect the Mass Transfer and Water Splitting Rate in Electrodialysis

2020

Electrodialysis (ED) has been demonstrated as an effective membrane method for desalination, concentration, and separation. Electroconvection (EC) is a phenomenon which can essentially increase the mass transfer rate and reduce the undesirable water splitting effect. Efforts by a number of researchers are ongoing to create conditions for developing EC, in particular, through the formation of electrical heterogeneity on the membrane surface. We attempt, for the first time, to optimize the parameters of surface electrical heterogeneity for ion-exchange membranes used in a laboratory ED cell. Thirteen different patterns on the surface of two Neosepta anion-exchange membranes, AMX and AMX-Sb, w…

Humidity effects on gravitational settling and Brownian diffusion of atmospheric aerosol particles

1977

The dependency on relative humidity of the settling velocity of aerosol particles in stagnant air and of the diffusion coefficient due to Brownian motion of aerosol particles was computed for six aerosol types and different particles sizes in dry state. The computations are based (1) on mean bulk densities of dry aerosol particles obtained from measurements or from the knowledge of the chemical composition of the particles, (2) on micro-balance measurements of the water uptake per unit mass of dry aerosol substance versus water activity at thermodynamic equilibrium, and (3) on measurements of the equilibrium water activity of aqueous sea salt solutions. The results show a significant depend…

Numerical modeling and validation of hydrothermal liquefaction of a lignin particle for biocrude production

2021

Abstract Lignin liquefaction process under catalyst-free conditions in a temperature range from 573 K to 647 K is investigated with this mathematical model. Based on the theoretical understanding of the physical and chemical processes of the liquefaction process in subcritical temperatures, a comprehensive mathematical model for the decomposition of lignin by hydrolysis reaction pathway is developed on the results of a series of batch experiments. The model consists of four main sections. They are liquefaction of lignin particle, oily film, and inorganic (ash) layer formation behavior during the liquefaction, kinetic model to model further liquefaction process of initial products, and the l…

Electropolishing of CuZn brasses and 316L stainless steels: Influence of alloy composition or preparation process (ALM vs. standard method)

2016

International audience; In the present paper, electropolishing behavior of different brass alloys (CuZn39Pb2, CuZn42) in phosphoric acid is studied to observe the impact of alloying elements on polishing quality. In the same way, the influence of the manufacturing process is also evaluated through the comparison of a “standard” stainless steel and a stainless steel prepared by Additive Laser Manufacturing (ALM). An electrochemical study was first performed to determine the best treatment conditions for each material/electrolyte pair and to study the electropolishing mechanism and its kinetic dependence on diffusion. Metallic samples are fully characterized before and after electropolishing …