Search results for "Enthalpy"
showing 10 items of 199 documents
Thermodynamic properties of N-octyl- and N-dodecylnicotinamide chlorides in water
1990
Densities, heat capacities and enthalpies of dilution at 25°C and osmotic coefficients at 37°C were measured for N-octyl- and N-dodecylnicotinamide chlorides in water over an extended concentration region. Partial molar volumes, heat capacities, relative enthalpies and nonideal free energies and entropies at 25°C were derived as a function of the surfactant concentration. For both surfactants, plots of volumes, enthalpies and free energies vs. concentration are regular whereas those of heat capacities and entropies present anomalies at about 0.8 and 0.1m for the octyl and dodecyl compounds, respectively. Changes in the slope of a plot of osmotic coefficients times molality vs. molality were…
Calorimetric investigation of water/lecithin/cyclohexane microemulsions
1997
The enthalpies of dilution of water/lecithin/cyclohexane microemulsion-gels at variousR values (R=[water]/[lecithin]) and molar enthalpies of solution of water in lecithin/cyclohexane at a fixed lecithin concentration were determined calorimetrically at 25°C. Through a description of the process of dilution of water/lecithin/cyclohexane microemulsion-gels as one involving mainly the scission of lecithin reversed micelles in to smaller ones, the concentration dependence of the enthalpy was rationalized. Surprisingly, in order to account for the dilution enthalpies, it was not necessary to hypothesize a thermal effect arising from the breakage of the micellar network present in the micremulsi…
Improving the local vertex invariants in alkane graphs through a standard molecular orbital approach
2007
Abstract In this work, novel topological indices are introduced by the application of algorithms based on molecular orbital theory. Actually, the novel indices are obtained by computing new values of the local vertex invariants (LOVIs) in alkane graphs. The most significant result is the dramatic increase in the predictive capability achieved with the topological charge indices weighted according the new LOVIs’ values in the prediction of four key properties in the set of octane isomers, namely heat of atomization, molar refraction, heat of vaporization and boiling point.
Thermodynamic parameters of the interaction between Co(II) bovine carbonic anhydrase and anionic inhibitors
1992
The pH dependence of the apparent affinity constants of perchlorate for cobalt(II)bovine carbonic anhydrase II has been measured by electronic absorption spectroscopy. The obtained data have been analyzed in terms of the ionization of two acidic groups of CoBCAII, and the affinity of perchlorate for the two water-containing species of the enzyme have been estimated. Furthermore, the affinity constants of nitrate, perchlorate, and azide for CoBCAII in the temperature range 5 degrees C-30 degrees C have been determined by spectrophotometric titrations at pH 7. The affinity constants for these ligands decrease with increasing temperatures. The temperature dependence of binding was used to esti…
Thermodynamic and19F NMR studies of antimony trifluoride in water
1993
Densities, specific heat capacities per unit volume and enthalpies of dilution at 25°C and osmotic coefficients at 37°C were measured for antimony trifluoride in water as functions of concentration. From the first three properties the apparent and partial molar volumes, heat capacities and relative enthalpies were derived. As well, pH measurements in water at 25°C and19F NMR spectra in water and methanol at 33°C were also carried out. All the thermodynamic properties together with the chemical shifts abruptly change in the very dilute concentration region (<0.1m) and, then, tend to a constant value. These trends have been rationalized through a simple model based on an equilibrium of dissoc…
Enthalpies of mixing of some nitriles aqueous solutions with dodecylsurfactants micellar solutions
1988
The enthalpies of mixing of some n-nitriles (from acetonitrile to valeronitrile) aqueous solutions with dodecyltzimethylammonium bromide, sodium dodecylsulfate and dodecyltzimethylammonium oxide micellar solutions were determined. The measurements were performed by systematically changing the surfactant concentration at a given solute concentration. The experimental enthalpies were rationalized in terms of the standard enthalpy of transfer of solute from the aqueous to the micellar phase and of the distribution constant between the two phase. Information on the effect of the nature of the surfactant on the standard thermodynamic quantities of transfer(ΔG t o , ΔH t o , TΔS t o ) is reported…
Enthalpies of transfer of pentanol from water to sodium dodecylsulfate-dodecyl-dimethylamine oxide-water mixtures
1994
At a given surfactant-surfactant ratio, the enthalpies of transfer ΔH (W→W+S) of pentanol 0.03m from water to sodium dodecylsulfate (NaDS)-dodecyldimethylamine oxide-water mixtures as functions of the surfactants mixture concentration (m t) were determined. ForX NaDS=0.9, ΔH (W→W+S) increases monotonically withm t such as observed for pure surfactants. ForX NaDS=0.12 and 0.3, ΔH (W→W+S) increases withm t up to 0.12m beyond which it decreases withm t. AtX NaDS=0.6, two monotonic curves can be distinguished in the ΔH (W→W+S)vs. m t trend. Experimental data were fitted through an equation previously reported for additives in pure surfactants derived by assuming the pseudo-phase transition mode…
Hydrolysis of dioxouranium(VI): a calorimetric study in NaClaq and NaClO4aq, at 25°C
2004
Abstract We report the results of a calorimetric study on the hydrolysis of UO 2 2+ in different ionic media (NaClO 4 aq , NaCl aq ) at 25 °C. Experiments in NaCl were performed at different ionic strength, at I ≤1 mol l −1 . The species considered in both ionic media were UO 2 (OH) + , (UO 2 ) 2 (OH) 2 2+ and (UO 2 ) 3 (OH) 5 + , and in addition (UO 2 ) 3 (OH) 4 2+ and (UO 2 ) 3 (OH) 7 − in NaCl aq . The dependence on ionic strength of enthalpy changes in NaCl aq was expressed by the simple linear equation Δ H pq =Δ H ° pq + aI 1/2 ( a , empirical parameter). Comparison with literature findings is given and some recommended values are reported.
Polyacrylate Protonation in Various Aqueous Ionic Media at Different Temperatures and Ionic Strengths
2000
The protonation constants of the polyacrylate anion (molecular mass 2000 Da) in Et4NI, Me4NCl, LiCl, LiNO3, NaCl, NaNO3, and KCl aqueous solution, were determined in a wide range of ionic strengths. A three-parameter approximation was used to express protonation constants as a function of the dissociation degree α, and their dependence on ionic strength was considered using a simple polynomial expansion. Differences in log KH between different data in different media were interpreted in terms of weak complex formation between polyacrylate and alkali metal cations. Measurements were also performed at different temperatures (15 ≤ T/°C ≤ 55) in order to calculate enthalpy and entropy changes f…
Enthalpic and entropic contributions of water molecules to the functional T → R transition of human hemoglobin in solution
1992
Generalized solvent-mediated forces contribute to free energy at the functional T → R transition of human hemoglobin A (HbA). Their contribution is here sorted out quantitatively in both its enthalpic and entropic parts, along with the average number of water molecules involved. The latter (about 75 waters in average) must be considered together with HbA as one statistically defined functional unit for oxygen transport. Their configurations are expected to undergo frequent structural rearrangements. Lifetimes of statistically relevant configurations do not need to (although, of course, they may) exceed by more than a factor 5 the normal H-bond lifetimes of the pure solvent. Compared to the …