Search results for "mole fraction"

Effect of tetrahydrofuran on the conductance and ion-pairing of hydrogen chloride in wet and dry methanol mixtures

1995

The molar conductance of dilute solutions of HCl in wet (68.5% methanol + 31.5% tetrahydrofurane mixtures at 25°C have been measured. The data were analyzed using the Fuoss-Hsia equation to calculate the infinite dilution molar conductances and association constants. The trend of the limiting conductances in these mixtures as a function of the water content shows, once more, the peculiar minimum due to the anomalous proton conductance mechanism. From these data the limiting molar conductance in the anhydrous binary solvent system was evaluated. The percentage excess proton mobility with respect to potassium ion has also been determined. All these data are compared to those found in a binary…

Evaluation of advanced silica packings for the separation of biopolymers by high-performance liquid chromatography

1987

Following previous studies of the use of non-porous monodisperse 1.5-microns n-octyl- and n-octadecyl-bonded silicas in gradient elution of proteins, this work was aimed at elucidating further the properties of this novel column material for peptide and protein separations in comparison with wide-pore silicas. First, it is demonstrated that with short columns (e.g., 35 X 8 mm I.D.) packed with these non-porous reversed-phase materials, mixtures of small peptides and mixtures of proteins can be very efficiently resolved. When the chain length of the bonded ligand was varied, the retention of a test set of proteins in gradient elution followed the ligand sequence C18 greater than C8 approxima…

A New Simple Static Method for the Determination of Solubilities of Condensed Compounds in Supercritical Fluids

2002

Abstract A simple static method based on gravimetric measurements has been adopted to measure the solubility of benzenecarboxylic acid, 2-hydroxy-benzenecarboxylic acid, 4-hydroxy-benzenecarboxylic acid and 1,8-dihydroxyanthraquinone along several isotherms in the temperature range 318–357 K and the pressure interval 7–23 MPa. Solubility data have been correlated with the Zieger–Eckert approach, using the Fedor atomic and group contribution method to estimate the solubility parameter and the molar volume of the solutes. A good agreement was obtained between data reported in the literature and those determined using the proposed method which allows one to measure solubility mole fraction as …

Quantitative Retention−Structure and Retention−Activity Relationship Studies of Local Anesthetics by Micellar Liquid Chromatography

2011

The retention of compounds in micellar liquid chromatography (MLC) is governed by hydrophobic and electrostatic forces. For ionic compounds, both interactions should be considered. The present report offers a novel retention model that includes the hydrophobicity of compounds and the molar fraction of the charged form of compounds and compares it with other previously reported models. High correlations between the logarithm of capacity factors and these structural parameters were obtained for local anesthetics with different degrees of ionization using a nonionic surfactant solution as mobile phase. Modeling the retention of compounds as a function of physicochemical parameters and experime…

Quantitative retention—structure and retention—activity relationship studies of ionic and non-ionic catecholamines by micellar liquid chromatography

1997

When ionic surfactants are used as mobile phases in micellar liquid chromatography, MLC, the retention of compounds is governed by hydrophobic and electrostatic forces. In the absence of electrostatic effects, the hydrophobicity of a compound is the predominant factor affecting its retention and its interaction with micelles. Because both interactions should be considered for ionic compounds, a novel retention model is proposed which includes the hydrophobicity of a compound and the molar fraction of its charged form. High correlations between the logarithm of the capacity factors and structural parameters were obtained for ionic compounds with different degrees of ionization. The effect of…

Isobaric Vapor−Liquid Equilibria for 1-Propanol + Water + Calcium Nitrate

1999

Isobaric vapor−liquid equilibria for all of the binary and ternary mixtures of 1-propanol, water, and calcium nitrate have been measured at 100.00 kPa using a recirculating still. The addition of calcium nitrate to the solvent mixture produced an important salt effect; the azeotrope was removed at salt mole fractions higher than 0.08. The three experimental binary data sets were independently fitted with the electrolyte NRTL model (Mock, B.; Evans, L. B.; Chen, C. C. AIChE J. 1986, 32, 1655−1664), and the parameters of Mock's model were estimated for each binary system. No ternary parameter was required. These parameters were used to predict the ternary vapor−liquid equilibrium using the sa…

Spin crossover in iron(II) tris(2-(2′-pyridyl)benzimidazole) complex monitored by variable temperature methods: synchrotron powder diffraction, DSC, …

2003

Abstract The thermal expansion of the spin crossover system [Fe(pybzim) 3 ](ClO 4 ) 2  · H 2 O (pybzim=2-(2 ′ -pyridyl)benzimidazole) has been determined from powder X-ray data between 50 and 250 K; the wavelength of the synchrotron source was 1.21888(1) A. The unit cell parameters of the triclinic crystal system were a =12.091 A, b =12.225 A, c =14.083 A, α =77.70°, β =80.35°, γ =74.35°, and V =1944.9 A 3 at 250 K. In addition to the linear thermal expansion of the unit cell volume, an extra expansion due to the low-spin (LS) to high-spin (HS) transition is observed. The V ( T ) function shows a sudden increase comparable with the step in the effective magnetic moment at the transition reg…

Square wave voltammetric determination of the redox state of a reversibly oxidized/reduced depolarizer in solution and in solid state

2012

Abstract Square wave voltammetric measurements allows for determining the composition of system containing a reversibly reducible/oxidable electroactive species in two oxidation states. The method is based on recording the ratio of reverse to forward peak currents. That ratio can be correlated with the molar fraction of the oxidized (or reduced) form of the depolarizer. The method was compared with cyclic voltammetric methods suggested in literature and it was tested using Fe ( CN ) 6 3 - / Fe ( CN ) 6 4 - in solution phase. Application to solid state systems is illustrated by the dehydroindigo/indigo couple in synthetic Maya Blue-type specimens prepared from indigo plus different clays whe…

1975

The density of crystals of poly(ethylene terephthalate), (PETP), Qc is checked by X-ray diffraction assuming a triclinic unit cell and the indices of reflections as found by Bunn. The following unit cell dimensions are found: a = 4,48A, b = 5,85A, c = 10,75 A, α = 99,5°, β = 118,4°, and γ = 111,2°. This gives the density Qc as 1,515g/cm3 which is about 4% higher than that reported by Bunn. Negligible differences in spacings for samples annealed at different temperatures (120°C–260°C) have been found. Only for an annealing temperature of 100°C the higher d-values lead to Qc = 1,484g/cm3. For undrawn PETP films annealed at 250°C the same value of Qc as for drawn PETP was obtained on the basis…

Liquid structure of dibutyl sulfoxide

2016

We present experimental (X-ray diffraction) data on the structure of liquid dibutyl sulfoxide at 320 K and rationalise the data by means of molecular dynamics simulations. Not unexpectedly, DBSO bearing a strong dipolar moiety and two medium length, apolar butyl chains, this compound was characterised by a distinct degree of polar vs. apolar structural differentiation at the nm spatial scale, which was fingerprinted by a low Q peak in its X-ray diffraction pattern. Similar to, but to a larger extent than its shorter chain family members (such as DMSO), DBSO was also characterised by an enhanced dipole-dipole correlation, which was responsible for a moderate Kirkwood correlation factor as we…