Search results for "Boiling point"
showing 6 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.
Non-destructive and clean prediction of aviation fuel characteristics through Fourier transform-Raman spectroscopy and multivariate calibration
2003
Abstract The combination of Fourier transform (FT)-Raman spectroscopy and partial least squares (PLS) regression is proposed to be used in off-line kerosene quality control. Here, six important physico-chemical properties have been studied: Abel flash point, initial boiling point (IBP), 10% of distilled sample, final boiling point (FBP), total percentage of aromatic compounds (% aromatics) and viscosity. The Raman spectra were obtained directly from standard 2 ml glass vials ( 12 mm ×32 mm), using a Bruker RFS 100 FT-Raman spectrometer, equipped with a 1064 nm Nd:YAG laser and a Ge detector, in back-scattering mode and accumulating 25 scans (150 s acquisition time) with a laser power of 30…
Simultaneous determination of C1−C8 n-alkyl acetates and corresponding mono-, di- and trichloroacetates on glass capillary columns with programmed te…
1982
Gas chromatography of mixtures of aliphaticn-alkyl acetates (CH3−COOR), chloroacetates (CHCl2−COOR), dichloroacetates (CHCl2−COOR) and trichloroacetates (CCl3−COOR), where the alcohol chain length (R) varied between 1 and 8, has been studied on SE-30, Carbowax 20M and OV-351 glass capillary columns with programmed temperatures from 50°C at 2, 4, 6, 8 and 10°C/min. Compounds in the homologous series are eluted in the direct order from methyl ton-octyl acetate. The isomeric chloro esters are eluted on SE-30 according to their boiling points in the order: mono-, di- and trichloro isomer, whereas on polar columns di- and trichloro esters are eluted in the reverse order. The complete separation …
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 …
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.
Isobaric vapor-liquid equilibria for binary systems composed of octane, decane, and dodecane at 20 kPa
1996
Vapor−liquid equilibria were measured for binary systems of octane + decane, decane + dodecane, and octane + dodecane at 20.00 kPa using a recirculating still. The results are thermodynamically consistent according to the point-to-point consistency test, and deviation from ideal behavior is small for all systems.