Search results for "MATTER"
showing 10 items of 16762 documents
Coupling between bulk- and surface chemistry in suspensions of charged colloids
2013
The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical…
Theoretical study of the NH tautomerism in free base porphyrin
1997
Abstract The NH tautomerism of free base porphyrin is investigated at the semiempirical spin-unrestricted AM1 (UAM1) and ab initio RHF/3-21G levels. The UAM1 method provides delocalized geometries for all stationary structures without imposing any symmetry constraint. RHF/3-21G geometry optimizations have to be performed under symmetry restrictions to ensure that realistic delocalized structures are obtained. Both the semiempirical and the ab initio calculations predict that the interconversion between trans tautomers proceeds in an asynchronous two-step process via intermediate cis tautomers. The cis tautomers are characterized as minima in the potential energy surface and are 8–10 kcal m…
InBO3 and ScBO3 at high pressures: an ab initio study of elastic and thermodynamic properties
2016
We have theoretically investigated the elastic properties of calcite-type orthoborates ABO(3) (A= Sc and In) at high pressure by means of ab initio total-energy calculations. From the elastic stiffness coefficients, we have obtained the elastic moduli (B, G and E), Poisson's ratio (nu), B/G ratio, universal elastic anisotropy index (A(U)), Vickers hardness, and sound wave velocities for both orthoborates. Our simulations show that both borates are more resistive to volume compression than to shear deformation (B > G). Both compounds are ductile and become more ductile, with an increasing elastic anisotropy, as pressure increases. We have also calculated some thermodynamic properties, like D…
Fast and blister-free irradiation conditions for cross-linking of PMMA induced by 2MeV protons
2013
For soft lithography, the conventional negative tone resists, such as SU-8, that are used to create the mold have a number of drawbacks. PMMA, which is normally used as a positive tone resist, can be used as a negative resist by using high-fluence irradiation conditions. In this report, we outline optimization of the irradiation conditions for PMMA thin films using 2MeV H^+ ions to exploit their ability to work as a negative tone resist at ion fluences above 1.0x10^1^5ionscm^-^2. The main aim was to induce cross-linking while maintaining the exposed regions free of blisters and maintaining short irradiation times. We found that by using a two-step process with a low-flux irradiation, follow…
Utilization of impedance spectroscopy to investigate the self-assembly behavior of amphiphiles soluble in supercritical carbon dioxide: Preliminary r…
2007
Abstract A mixture of CO 2 , water, methyl orange (MO) and Dynol 604 surfactant was analyzed at 309 K and 20 MPa simultaneously by impedance and UV–vis spectroscopy. A plot of the static dielectric constant as a function of the surfactant concentration was obtained using a suitable equivalent circuit to elaborate impedance data. Experimental points can be fitted by two different straight lines whose intersection occurs at about 0.13% (w/w) concentration of Dynol. When the surfactant concentration crossed the aforementioned value, a peak was detectable in the UV–vis spectrum at a wavelength range corresponding to the absorption of MO; absorbance of the peak increased with the surfactant conc…
Isocratic and gradient elution in micellar liquid chromatography with Brij-35
2015
Polyoxyethylene(23)lauryl ether (known as Brij-35) is a nonionic surfactant, which has been considered as an alternative to the extensively used in micellar liquid chromatography anionic surfactant sodium lauryl (dodecyl) sulfate, for the analysis of drugs and other types of compounds. Brij-35 is the most suitable nonionic surfactant for micellar liquid chromatography, owing to its commercial availability, low cost, low toxicity, high cloud temperature, and low background absorbance. However, it has had minor use. In this work, we gather and discuss some results obtained in our laboratory with several β-blockers, sulfonamides, and flavonoids, concerning the use of Brij-35 as mobile phase mo…
Sound conversion phenomena at the free surface of liquid helium. I. Calculation of the coefficients of reflection, transmission, and transformation o…
1980
On the basis of a set of boundary conditions describing quite generally mass and energy transport processes across the free surface of helium II, the acoustic coefficients of reflection, transmission, and transformation of first sound, second sound, and the sound wave propagating in the vapor are calculated in the case of perpendicular incidence of sound waves against the liquid-vapor phase boundary. Considering rigorously the influences of the Onsager surface coefficients, the isobaric thermal expansion coefficients, and the thermal conductivities of the liquid and the vapor, we derive sets of equations from which the acoustic coefficients are determined numerically. For estimations, simpl…
On the variations of acoustic absorption peak with particle velocity in micro-perforated panels at high level of excitation.
2010
The acoustic behavior of micro-perforated panels (MPP) is studied theoretically and experimentally at high level of pressure excitation. A model based on Forcheimer's regime of flow velocity in the perforations is proposed. This model is valid at relatively high Reynolds numbers and low Mach numbers. The experimental method consists in measuring the acoustical pressure at three different positions in an impedance tube, the two measurement positions usually considered in an impedance tube and one measurement in the vicinity of the rear surface of the MPP. The impedance tube is equipped with a pressure driver instead of the usual loudspeaker and capable of delivering a high sound pressure lev…
Acoustic characterization of Silica aerogel clamped plates for perfect absorption purpose
2017
International audience; Silica aerogel has been widely studied as bulk material for its extremely low density and thermal conductivity. Plates or membranes made of this extremely soft materials exhibits interesting properties for sound absorption. A novel signal processing method for the characterization of an acoustic metamaterial made of silica aerogel clamped plates is presented. The acoustic impedance of a silica aerogel clamped plate is derived from the elastic theory for the flexural waves, while the transfer matrix method is used to model reflection and transmission coefficients of a single plate. Experimental results are obtained by using an acoustic impedance tube. The difference b…
Electronic structure of phthalocyanines : Theoretical investigation of the optical properties of phthalocyanine monomers, dimers, and crystals
1990
We present valence effective Hamiltonian (VEH) calculations on the optical absorptions of a series of phthalocyanine compounds: the metal‐free phthalocyanine molecule, a model system for the lithium phthalocyanine molecule, the metal‐free phthalocyanine dimer, and model systems for the lutetium diphthalocyanine and the lithium phthalocyanine crystal. For these compounds, it is found that the major factor influencing the evolution of the optical transitions is not the electronic structure of the metal but rather the geometric structure: phthalocyanine intraring geometry and, in the dimers and crystals, interring separation and staggering angle. The origin of the so‐called Soret or B absorpti…