Search results for "Surfaces"
showing 10 items of 2837 documents
Application of small angle neutron scattering to micellar fluids
1990
Abstract In this paper we present a short overview of the application of small angle neutron scattering (SANS) to micellar fluids. In the first part of the paper a general expression of the scattering equation is derived, with particular emphasis on the approximations involved and on their practical consequences. In the second part of the paper we present six selected test cases (such as mono- and polydisperse fluids, critical fluids, shapes other than spherical, etc.) taken from our own work, to demonstrate the kind of analysis performed in each case to extract the information from SANS data.
High energy, high resolution photoelectron spectroscopy of Co2Mn(1-x)Fe(x)Si
2006
This work reports on high resolution photoelectron spectroscopy for the valence band of Co2Mn(1-x)Fe(x)Si (x=0,0.5,1) excited by photons of about 8 keV energy. The measurements show a good agreement to calculations of the electronic structure using the LDA+U scheme. It is shown that the high energy spectra reveal the bulk electronic structure better compared to low energy XPS spectra. The high resolution measurements of the valence band close to the Fermi energy indicate the existence of the gap in the minority states for all three alloys.
ECT of ethanol and hexane mixtures in the spinning disk system
2007
The paper presents the research results of electrostatic charging tendency (ECT) of ethanol and hexane mixtures, a liquid of a simple chemical structure and high purity (pro analysis). The research work was carried out in a spinning disk system, where the factors influencing the value of the electrification current registered were the composition of the mixture and the rotational speed of the disk. The research results showed that the biggest ECT changes occur in the range of up to 10% of ethanol content in hexane and the electrification current characteristic has a visible maximum for the mixture, the contents of which constitute 95% of hexane volume and 5% of ethanol by volume. In the nex…
Numerical modelling of the electrochemical behaviour of 316 stainless steel based upon static and dynamic experimental microcapillary-based technique…
2008
objective of this work was to determine the parameters that affect the mass transport and the distribution of species in microcapillaries close to the specimen surface. Local experiments were carried out under static and flow conditions on type 316L stainless steel in 1.7 M NaCl, pH = 3, by means of the electrochemical microcell and the scanning droplet cell technique. The polarisation behaviour of pure iron (used as a model system) in an aqueous environment was calculated adopting a finite element approach and was compared to the experimental results. The corrosion system consists of three parallel electrochemical reactions: the oxygen reduction reaction (ORR), the hydrogen evolution react…
Molecular polarizability of Scn, Cn and endohedral Scn@Cm clusters
2002
The interacting induced dipoles polarization model implemented in the program POLAR is used for the calculation of the molecular dipole-dipole polarizability . The method is tested with Sc1-Sc7, Sc12, Sc17, Sc74, C, C12, C60, C70, C82-fullerene, Sc@C60, Sc@C82, Sc2@C82, Sc3@C82, C1-C6, C10, C13, C16, C19, C22, C24, C42, C54, C84 and C96-graphite clusters. The polarizability is an important quantity for the identification of clusters with different numbers of atoms and even for the separation of isomers. The results for the polarizability are of the same order of magnitude as reference calculations performed with another program based on the same formulation. The bulk limit for the polarizab…
Microwave-based gas sensor with phthalocyanine film at room temperature
2013
Abstract This work presents the development of a microwave gas sensor at room temperature. The design of the sensor includes a coplanar grounded wave guide where is deposited a molecular gas sensing material. In this study, the sensitive material is a thin layer of cobalt phthalocyanine (CoPc), sensitive to ammonia and toluene. Submitted to an electromagnetic incident wave in the microwave range, the sensor response is a reflected wave. In the presence of pollutant, the reflected wave shape is specific to the species concentrations. The results interpretation is led at each frequency by the evaluation of the reflected coefficient, which traduces the ratio between the reflected wave over the…
Phase Stability of Natural Ni0.75Mg0.22Ca0.03CO3 Gaspeite Mineral at High Pressure and Temperature
2020
[EN] Divalent metal carbonates play an important role in Earth's carbon cycle, but the effect of chemical substitution is still poorly known. In this work, we have studied the structural and vibrational properties of natural mineral gaspeite (Ni0.75Mg0.22Ca0.03CO3) under high pressure and temperature using in situ synchrotron X-ray diffraction and Raman spectroscopy in diamond-anvil cells. These experiments have been complemented by ab initio simulations. Synchrotron high-pressure XRD measurements at room temperature using He as the pressure transmitting medium have shown that the calcite-type structure is stable up to 23.3 GPa. A bulk modulus at zero pressure of B-0 = 105(2) GPa with B-0' …
Crystalline-Size Dependence of Dual Emission Peak on Hybrid Organic Lead-Iodide Perovskite Films at Low Temperatures
2018
In this work, we have investigated the crystalline-size dependence of optical absorption and photoluminescence emission of CH3NH3PbI3 films, which is necessary to identify the potential practical applications of the gadgets based on perovskite films. This study was carried out at low temperatures to minimize the extra complexity induced by thermal effects. The purpose was to clarify the origin of the dual emission peak previously reported in the literature. We found that the grain size is responsible for the appearance or disappearance of this dual emission on CH3NH3PbI3 at low temperatures, whereas we have inferred that the thickness of the perovskite layer is a much more important factor …
Observable Streaming Potential in Membranes
2003
Theories describing the electrokinetic processes in membranes usually involve nonobservable variables. One of these phenomena is the streaming potential, i.e., the electric potential generated by a pressure difference imposed across the membrane system. In this work the streaming potential is successfully described by using observable variables in the framework of thermodynamics of irreversible processes. The observable electric potential is the central quantity of the transport equations. The relaxation with time of this electric potential difference is well explained by the solute flux in these transport equations. The fluxes and forces defined in the formulation permit one to analyze the…
Interaction of Charged Amino-Acid Side Chains with Ions: An Optimization Strategy for Classical Force Fields
2014
Many well-established classical biomolecular force fields, fitted on the solvation properties of single ions, do not necessarily describe all the details of ion pairing accurately, especially for complex polyatomic ions. Depending on the target application, it might not be sufficient to reproduce the thermodynamics of ion pairing, but it may also be necessary to correctly capture structural details, such as the coordination mode. In this work, we analyzed how classical force fields can be optimized to yield a realistic description of these different aspects of ion pairing. Given the prominent role of the interactions of negatively charged amino-acid side chains and divalent cations in many …