Search results for "THERMODYNAMICS"
showing 10 items of 2774 documents
Theoretical study of the interaction between sodium ion and a cyclopeptidic tubular structure.
2007
DFT calculations have been carried out to describe the pathway of a sodium ion along the stacking direction of a tubular structure set up by five cyclopeptidic units, which can be considered a suitable model of a hollow tubular structure of indefinite length. A lattice of points inside the tubular structure is defined and the DFT interaction energy values with a sodium ion are obtained. The data allow predicting a zigzag path of the ion inside the hosting structure. © 2007 Wiley Periodicals, Inc. J Comput Chem, 2007
A free plate model can predict guided modes propagating in tubular bone-mimicking phantoms
2014
The goal of this work was to show that a non-absorbing free plate model can predict with a reasonable accuracy guided modes measured in bone-mimicking phantoms that have circular cross-section. Experiments were carried out on uncoated and coated phantoms using a clinical axial transmission setup. Adjustment of the plate model to the experimental data yielded estimates for the waveguide characteristics (thickness, bulk wave velocities). Fair agreement was achieved over a frequency range of 0.4 to 1.6 MHz. A lower accuracy observed for the thinnest bone-mimicking phantoms was caused by limitations in the wave number measurements rather than by the model itself.
A comparative study on Kθ evaluation from [η]-M data in single and mixed solvents through various excluded volume theories
1991
Abstract By allowing for the dependence of B on molecular weight, through its relationship with A2, modified Flory-Fox-Schaefgen, Kurata-Stockmayer-Roig, Berry and Inagaki-Suzuki-Kurata equations are obtained, relating [η] to A2 and to Kθ. Through these equations, Kθ can be determined from data sets for [η]-A2. Because of the scarcity of these data sets, A2 values have been calculated from experimental data for [η] and trial Kθ values through two parameter theories, namely, through the Flory-Krigbaum-Orofino theory for Ψ. Iterative processes were followed until coincidence was obtained between trial Kθ values and those evaluated from the modified excluded volume equations. The method has be…
Phase equilibria and variation of the azeotropic composition with pressure for binary mixtures of 1-propanol + chlorobenzene and 1-butanol + chlorobe…
1998
Abstract Isobaric vapor-liquid equilibria were obtained for the systems 1-propanol + chlorobenzene and 1-butanol + chlorobenzene at 200 and 300 kPa using a dynamic still. The mole fraction of the alcohol in the azeotropic point increases with pressure and for the 1-propanol + chlorobenzene system at 300 kPa, the azeotrope has disappeared. The two systems satisfy the point-to-point thermodynamic consistency test. Both systems show a positive deviation from ideality. The data were well correlated with the Margules, van Laar, Wilson. NRTL and UNIQUAC equations.
Vapor–liquid equilibrium of binary mixtures of chlorobenzene with 3-methyl-1-butanol, 3-methyl-2-butanol and 2-methyl-2-butanol, at 100 kPa
1998
Abstract Isobaric vapor–liquid equilibria have been obtained for the systems 3-methyl-1-butanol+chlorobenzene, 3-methyl-2-butanol+chlorobenzene and 2-methyl-2-butanol+chlorobenzene at 100 kPa, using a dynamic still. The experimental error in temperature is ±0.1 K, in pressure ±0.1 kPa, and in the liquid and vapor mole fraction ±0.001. The three systems satisfy the point-to-point thermodynamic consistency test. All the systems show positive deviations from ideality. The data have been correlated with the Margules, Van Laar, Wilson, NRTL and UNIQUAC equations.
Isobaric vapor–liquid equilibrium for binary mixtures of 1-hexene+n-hexane and cyclohexane+cyclohexene at 30, 60 and 101.3kPa
2009
Abstract Consistent vapor–liquid equilibria (VLE) data were determined for the binary systems 1-hexene + n-hexane and cyclohexane + cyclohexene at 30, 60 and 101.3 kPa, with the purpose of studying the influence of the pressure in the separation of these binary mixtures. The two systems show a small positive deviation from ideality and do not present an azeotrope. VLE data for the binary systems have been correlated by the Wilson, UNIQUAC and NRTL equations with good results and have been predicted by the UNIFAC group contribution method.
Isobaric vapor-liquid equilibrium of binary mixtures of 1-propanol + chlorobenzene and 2-propanol + chlorobenzene
1997
Abstract Isobaric vapor-liquid equilibria were obtained for the system 1-propanol + chlorobenzene at 20 and 100 kPa and for the system 2-propanol + chlorobenzene at 100 kPa using a dynamic still. The experimental error in temperature was ±0.1 K, in pressure ±0.01 kPa and ±0.1 kPa for the experiments carried out at 20 and 100 kPa, respectively, and in the liquid and vapor mole fraction 0.001. The two systems satisfy the point-to-point thermodynamic consistency test. Both systems show a positive deviation from ideality. The data were well correlated with the Margules, Van Laar, Wilson, NRTL and UNIQUAC equations.
Measurements and correlation of vapour–liquid equilibria of 2-butanone and hydrocarbons binary systems at two different pressures
2011
Abstract Consistent isobaric vapour–liquid equilibrium data have been measured for 2-butanone + n-hexane, 2-butanone + n-heptane, and 2-butanone + 2,2,4-trimethylpentane at two different pressures. All binary systems present a minimum boiling azeotrope at both pressures, and show that the azeotropic compositions are weakly dependent on pressure. The equilibrium data were correlated using the Wilson, NRTL, and UNIQUAC models for which the parameters are reported.
Azeotropic distillation for 1-propanol dehydration with diisopropyl ether as entrainer: Equilibrium data and process simulation
2019
Abstract Azeotropic distillation process is widely used to separate non-ideal binary mixtures into their constituent pure components. 1-Propanol dehydration was used as case study and diisopropyl ether was analysed as possible entrainer in an azeotropic distillation. The separation of some alcohols from their aqueous solution is a challenging task because these aqueous mixture forms minimum boiling azeotrope. In this way, isobaric vapor-liquid and vapour-liquid-liquid equilibrium data were measured for the 1-propanol+ water + diisopropyl ether ternary mixture at 101.3 kPa. The data were correlated by NRTL and UNIQUAC models. A separation sequence (a decanter and a single-feed distillation c…
Vapor–liquid equilibrium of binary mixtures of trichloroethylene with 1-pentanol, 2-methyl-1-butanol and 3-methyl-1-butanol at 100 kPa
1999
Abstract Isobaric vapor–liquid equilibria (VLE) have been obtained for the systems trichloroethylene+1-pentanol, trichloroethylene+2-methyl-1-butanol and trichloroethylene+3-methyl-1-butanol at 100 kPa using a dynamic still. The experimental error in temperature is ±0.1 K, in pressure ±0.1 kPa, and in the liquid and vapor mole fraction ±0.001. The three systems satisfy the point-to-point thermodynamic consistency test. All the systems show positive deviations from ideality. The data have been correlated with the Margules, van Laar, Wilson, NRTL and UNIQUAC equations.