Search results for "Solvent"
showing 10 items of 1395 documents
On Pathways for Small Molecules Into and Out of Human Hair Fibers
1996
This paper represents an experimental approach of histology of the human hair fiber in dyeing and diffusion phenomena and its contribution to the interpretation of hair analysis results for drug abuse. Rhodamine B was applied to human hair fibers from either aqueous solution or methanol/ethanol solvent. The experiments were performed on natural hair of different ethnic groups as well as on extensively bleached hair strands. The microscopical study of the pathway of diffusion of rhodamine B into the hair fibers indicated that the reagent had entered the unmodified fibers at the scale edges between the cuticle cells. At the beginning of the diffusion process intercellular diffusion was the pr…
The Silica-Water Interface: How the Silanols Determine the Surface Acidity and Modulate the Water Properties.
2015
Silica is the most abundant metal oxide and the main component of the Earth's crust. Its behavior in contact with water plays a critical role in a variety of geochemical and environmental processes. Despite its key role, the details of the aqueous silica interface at the microscopic molecular level are still elusive. Here we provide such a detailed understanding of the molecular behavior of the silica-water interface, using density functional theory based molecular dynamics (DFTMD) simulations, where a consistent treatment of the electronic structure of solvent and surface is provided. We have calculated the acidity of the silanol groups at the interface directly from the DFTMD simulations,…
Thermodynamics of transfer of some nitroalkanes from aqueous to dodecyltrimethylammonium bromide micellar phases
1988
Abstract The enthalpies of mixing of some aqueous n-nitroalkane solutions with dodecyltrimethylammonium bromide micellar solutions were determined. The experimental data were treated by using a previously reported approach giving the enthalpies of transfer of solute from the aqueous to the micellar phases and the distribution constant of solute between the two phases at the same time. From these, the standard thermodynamic quantities of transfer (ΔtrfG°, ΔtrfH° and ΔtrfS°) are derived. In order to study the effect of the nature of both the solvent and the head group of solute, these properties are compared with those from water to octane and with those of alcohols and nitriles from aqueous …
Calorimetric study of the solubilization of ethylenediamine, N,N-dimethylaminoethylamine and N,N,N?,N?-tetramethylethylenediamine by reversed AOT mic…
1993
Distribution constants and standard enthalpies of transfer of ethylenediamine (en), N,N-dimethylaminoethylamine (dmen) and N,N,N′,N′-tetramethylethylenediamine (tmen) partitioned between n-heptane and water containing reversed sodium bis(2-ethylhexyl) sulfosuccinate (AOT) micelles as a function of the molar concentration ratio R (R=[water]/[AOT]) were evaluated by a calorimetric method. The results show that en, dmen and tmen molecules, solubilized in the reversed micelles, are distributed between the micellar aqueous core and the micellar palisade layer. An analysis of the thermodynamic parameters of the partition process demonstrates the peculiar solvent properties of the water containing…
Fractional dissolution of “solid” unsubstituted cellulose
2000
Activated cellulose (Solucell, DP w = 1400) was extracted stepwise at room temperatures by means of mixed solvents consisting of N,N-dimethylacetamide (DMAc) and LiCl, starting with a salt concentration of 1 wt.-% and increasing it in increments of 1 wt.-% up to 7 wt.-%. Upon the regeneration of the thus obtained cellulose fractions by pouring the solutions dropwise into a large surplus of water, part of the mixed solvent is occluded in the polymer. For that reason the cellulose samples were purified by redissolving them in Ni-tren and by a second precipitation. This process, however, leads to pronounced polymer degradation. For that reason we have used a spinning nozzle to press the extrac…
Fractionation of unsubstituted cellulose from solutions in either Ni-tren or (N,N-dimethylacetamide + LiCl)
2000
Starting from solutions of unsubstituted cellulose (Avicel PH101, M w = 30.1 kg/mol and M w /M n = 3 or Solucell 500, M w = 230 kg/mol, M w /M n = 2.8) in either Nitren (0.8 M aqueous solution of the dihydroxotris(2-aminoethly)amine nickel(II) complex) or in a mixed solvent DMAc+LiCl (consisting of N,N-dimethylacetamide plus lithium chloride) it was investigated whether the segregation of a second phase caused by the addition of suitable precipitants leads to polymer fractionation. With Ni-tren the long chains accumulate in the precipitate formed upon the addition of sulfuric acid; as the pH falls below 9, the solution is free of cellulose. Nevertheless this route option for fractionation m…
Transition metal binding properties of the redox-active 1,4,7,10,13,16-hexa(ferrocenylmethyl)-1,4,7,10,13,16-hexaazacyclooctadecane and its electroch…
1999
Abstract Solution studies to elucidate the coordination behaviour and the electrochemical response of the ferrocene-functionalized polyazamacrocycle 1,4,7,10,13,16-hexa(ferrocenylmethyl)-1,4,7,10,13,16-hexaazacyclooctadecane (L1) by potentiometric methods and electrochemical techniques have been carried out. Potentiometric methods in the presence of Cd2+, Hg2+, Pb2+ and Zn2+ were carried out in 1,4-dioxane/water (70:30 v/v, 25°C, 0.1 mol dm−3 KNO3). Electrochemical studies were carried out in acetonitrile/dichloromethane (50:50 v/v, 25°C, 0.1 mol dm−3 TBAClO4) in the presence of transition metal ions and anions.
Calculation of the relative basicities of methylamines in solution
1990
Abstract The relative basicities in solution of the methylamines have been calculated using the model of Miertus, Scrocco and Tomasi to describe the solvent effect. The surface of the cavity is defined with the GEPOL method. The ab initio calculations have been performed using a 4-31G basis set. The relative order is reproduced using a combination of the gas-phase proton affinities obtained with quantum-mechanical methods by Eades, Weil, Dixon and Douglass and the solvation values obtained by us. The results seem to point out that the irregular order is not due to solvent but to basis-set effects.
Solidification behavior of the theta system 2-propanol/poly(n-butyl methacrylate) I. Influences of thermoreversible gelation on stationary flow
1994
Zero shear viscosities, η0, were determined by means of a magnetoviscometer for melts of poly(n-butyl methacrylate) (M = 8.7 to 450 kg/mol, T =53.5 to 200°C) and for concentrated solutions of the highest molecular weight sample in isopropanol (T = 34.8 to 131.5 °C). Master curves can be constructed in both cases if the reference temperature is set proportional to the gelation temperature of the particular fluid. Special intersegmental interactions (eventually leading to thermoreversible gelation) can above all be felt in η0 (T) and in M c , the critical molecular weight determined in plots of log η0 vs. log M. As the temperature is lowered, the behavior changes from WLF to Arrhenius, and M …
Aryl azides formation under mild conditions: a kinetic study in some ionic liquid solutions.
2009
The kinetics of nucleophilic aromatic substitution of three nitrothiophene derivatives in different [1-butyl-3-methylimidazolium][N(3)]/ionic liquid binary mixtures was studied spectrophotometrically at 298 K. Ionic liquids differing for cation structure (imidazolium or pyrrolidinium) and for size, shape, and coordination ability of the anion ([BF(4)(-)], [PF(6)(-)], [SbF(6)(-)], and [NTf(2)(-)]) were used. Furthermore, in order to have a comparison with conventional organic solvents, the target reaction was also carried out in DMF solution at increasing concentration of NaN(3) or [bmim][N(3)]. Data collected show that the reaction occurs faster in DMF than in ionic liquid solution. Further…