Search results for "Boiling point"
showing 10 items of 26 documents
Spectral moments of the edge adjacency matrix in molecular graphs. 3. Molecules containing cycles
1998
A substructural approach to quantitative structure−property relationships based on the spectral moments of the edge adjacency matrix is extended to molecules containing cycles. Spectral moments are expressed as linear combinations of structural fragments of any kind of nonweighted graphs. The boiling points of a series of 80 cycloalkanes was well-described by the present approach. The predictive power of the model was proved by using a test set of another 26 compounds. An equation that expresses the contribution of the different fragments of the molecules to the boiling point was obtained.
Isobaric vapor-liquid equilibria and densities for the system methyl 1,1-dimethylethyl ether+2-propanol
2002
Vapor-liquid equilibrium data at 50, 75 and 94 kPa have been determined for the binary system methyl 1,1-dimethylethyl ether + 2-propanol, in the temperature range 308-344 K. The measurements were made in an equilibrium still with circulation of both the vapor and liquid phases. Excess volumes have been also determined from density measurements using a vibrating tube densimeter at 298.15 K. The system exhibits positive deviation from ideal behavior and does not present azeotropy within the range of pressures studied. The excess volume of the system is negative over the whole mole fraction range. The activity coefficients and boiling points of the solutions were well correlated with the mole…
Inactivation of dried spores of Bacillus subtilis 168 by a treatment combining high temperature and pressure
2019
International audience; Specific treatments combining high temperatures of up to 150 °C and moderate pressure of up to 0.6 MPa have been applied to Bacillus subtilis 168 spores conditioned at different aw levels (between 0.10 and 0.70) corresponding to different residual water contents within the spore core. The spores were treated as a dry powder in a pressurized nitrogen environment or in water/glycerol solutions.These thermodynamic conditions were intended to prevent any water evaporation from the spore core during time/temperature treatments.Our results clearly show that retaining liquid water in the core by applying pressure during the treatment resulted in greater spore destruction (b…
Glass-capillary gas chromatography of chlorobenzenes on SE-30 and Carbowax 20M columns. Simultaneous determination of chlorobenzenes and chlorophenols
1983
Gas chromatography of benzene and all chlorobenzenes has been studied on SE-30 and Carbowax 20M glasscapillary columns under various operating conditions. The benzene isomers are eluted on both columns according to their boiling points. Separation of all components in a mixture is achieved on Carbowax 20M, whereas on SE-30 the peaks of closely related isomers overlapped. Also one partial overlapping is observed on a non-polar phase. The relative retention times for compounds are given and the retention order is discussed. The retention behaviour of chlorobenzenes and chlorophenols is compared. By using an SE-30 quartz-capillary column a mixture of 33 individual components gives 29 resolved …
Isobaric vapour–liquid equilibria for the binary systems 4-methyl-2-pentanone+1-butanol and+2-butanol at 20 and 101.3kPa
2009
Abstract Isobaric vapour–liquid equilibrium (VLE) measurements for the binary systems 4-methyl-2-pentanone + 1-butanol and 4-methyl-2-pentanone + 2-butanol are reported at 20 and 101.3 kPa. The system 4-methyl-2-pentanone + 1-butanol presents a minimum boiling point azeotrope at both pressures (20 and 101.3 kPa) and the system 4-methyl-2-pentanone + 2-butanol presents only a minimum boiling azeotrope at 20 kPa. In both systems, which deviate positively from ideal behaviour, the azeotropic composition is strongly dependent on pressure. The activity coefficients and boiling points of the solutions were correlated with its composition by the Wilson, UNIQUAC, and NRTL models for which the param…
Numerical support for laser welding of zinc-coated sheets process development
2002
Abstract A lap welding process for zinc-coated sheets has been developed with the help of numerical simulations. This process has been improved and is now compatible with industrial requirements. The zinc boiling point (1180 K) is lower than the steel melting point (1800 K). Consequently, a violent boiling of zinc in melted steel produces serious defects in the seam. To get round this difficulty, we choose to consider a two-spots process: the first spot vaporizes the zinc coating at the interface; the second one welds the sheets. Previously, we develop a numerical model that permits a process parameters choice and limits the plan of experimentations. The zinc ablation spotlight shape is cho…
Phase equilibria and multiple azeotropy in the associating system methanol + diethylamine
1997
Vapor−liquid equilibrium has been measured for the binary system of methanol (1) + diethylamine (2) at 101.3 and 300 kPa. Both equilibrium isobars show strong deviations from ideal behavior and a single maximum boiling point azeotrope of practically constant composition x1 ≈ 0.76, corresponding to a temperature of 339.8 K at 101.3 kPa and 370.0 K at 300 kPa. The trend of the high-pressure isobar data is consistent with the formation of a second minimum boiling azeotrope, confirming the multiple azeotropic behavior found by others at a higher temperature (398.58 K). Furthermore, the excess Gibbs energy is negative and inflects markedly with composition with increased pressure. The equilibriu…
Isobaric Vapor−Liquid Equilibrium for Ethanol + Water + Strontium Nitrate
1996
Isobaric vapor−liquid equilibrium for ethanol (1) + water (2) + potassium nitrate (3) at various concentrations of salt and with ethanol mole fractions from 0 to 0.642 has been measured at 100.0 kPa. The results were correlated by assuming that the salt was in ionic form and it was associated only with the water.
Adsorption of chlorinated volatile organic compounds on hydrophobic faujasite: correlation between the thermodynamic and kinetic properties and the p…
1998
This work deals with a thermodynamic and kinetic study of the adsorption of single volatile organic compounds (VOCs) (dichloromethane (DCM), 1,2-dichloroethane (DCA), trichloroethene (TCE) and tetrachloroethene (PCE)) on a dealuminated faujasite Y by simultaneous measurements of the adsorbed amounts, adsorption heats and diffusivities. The type V isotherms and the weak values of derivative enthalpies allowed us to predict that the competitive adsorption of their mixture would be similar to a distillation. This prediction was verified experimentally: the breakthrough curves of VOC mixtures showed that the adsorbate with the higher boiling point displaced the adsorbate with the lower boiling …
Atom-based non-stochastic and stochastic bilinear indices: Application to QSPR/QSAR studies of organic compounds
2008
The recently introduced bilinear indices are applied to the QSAR/QSPR studies of heteroatomic molecules. These novel atom-based molecular fingerprints are used to predict the boiling point of 28 alkyl-alcohols and partition coefficient, specific rate constant and antibacterial activity of 34 2-furylethylenes derivatives. The obtained models are statistically significant and show rather very good stability in a cross-validation experiment. The comparison with other approaches exposes a good behavior of our method in this QSPR studies. The obtained results suggest that with the present method, it is possible to obtain a good estimation of physical, chemical and physicochemical properties for …