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1.
Densities have been measured as a function of composition for ternary-pseudobinary mixtures of [(benzene + toluene or methylcyclohexane)
+ (cyclohexane + toluene or methylcyclohexane)] by means of a vibrating-tube densimeter at atmospheric pressure and the temperature
298.15 K. The excess molar volumes, VmE, were calculated from the densities and correlated using the Redlich–Kister equation to estimate the coefficients and standard
errors. The experimental and calculated quantities are used to discuss the mixing behavior of the components. The results
show the third component, toluene and methylcyclohexane, influences the interaction between benzene and cyclohexane. 相似文献
2.
Excess molar volumes, VmE, have been obtained as a function of composition for ternary-pseudobinary mixtures of [(benzene + cyclohexane or methylcyclohexane) + (propionitrile + cyclohexane or methylcyclohexane)] from the densities measured by means of a vibrating-tube densimeter at atmospheric pressure and a temperature of 298.15 K. The values of VmE have been correlated using the Redlich–Kister equation to estimate the coefficients and standard errors. The experimental and calculated quantities are used to discuss the mixing behavior of the components. The results show that the third component, cyclohexane or methylcyclohexane, has a significant effect on the interaction between benzene and propionitrile. 相似文献
3.
New experimental data on the density of three
(0.2393, 0.4856 and 0.7390 mole fraction of ethylbenzene) binary n-heptane+ethylbenzene mixtures have been measured
with a constant-volume piezometer immersed in a precision liquid thermostat.
These new experimental data covering a temperature range from 306 to 527 K
and a pressure range of 0.1 to 11 MPa. The experimental data reported here
have an uncertainty less than 0.06% for the density, 0.05% for the pressure,
15 mK for the temperature, and 0.012% for the concentration. Excess molar
volumes were derived using measured values of density for the mixtures and
for the pure components calculated with reference equation of state for n-heptane (Span and Wagner, 2003) and for the pure
ethylbenzene (Frenkel et al., 2005). The
derived values of excess molar volumes at atmospheric pressure were compared
with the values reported by other authors in the literature. The effect of
pressure on the excess molar volumes was studied. 相似文献
4.
The densities of the ternary-pseudobinary mixtures [(styrene + ethyl acetate or benzene) + (N-methyl-2-pyrrolidone + ethyl acetate or benzene)], formed by adding the third component (ethyl acetate or benzene) to the
binary system (styrene + ethyl acetate), have been measured as a function of composition by means of a vibrating-tube densimeter
at atmospheric pressure at 298.15 K. The excess molar volumes V
m
E were calculated from the densities and correlated using the Redlich–Kister equation to estimate the coefficients and standard
errors. The experimental and calculated quantities are used to discuss the mixing behavior of the components. The results
show that the third component, ethyl acetate or benzene, have quite different influences on the interaction between styrene
and N-methyl-2-pyrrolidone. 相似文献
5.
The excess molar volumes VEm for ternary pseudo-binary mixtures of [(benzene+chloroform or carbon tetrachloride)+(propionitrile+chloroform or carbon tetrachloride)] have been determined over the full composition range, by measuring the densities with a vibrating-tube densimeter at 298.15 K and atmospheric pressure. The experimental and calculated quantities are compared to those for the binary mixture (benzene+propionitrile), and the mixing behavior of the components is discussed. The results show that adding the third component, chloroform or carbon tetrachloride, to the binary mixture has a small effect on the interaction between benzene and propionitrile. 相似文献
6.
P. V. Verdes M. M. Mato J. L. Legido E. Jiménez M. I. Paz Andrade 《Journal of Thermal Analysis and Calorimetry》2007,88(2):613-616
Excess molar enthalpies
of the ternary system {x
1
p-xylene+x
2decane+(1–x
1–x
2)diethyl
carbonate} and the involved binary mixtures {p-xylene+(1–x)decane}, {xp-xylene+(1–x)diethyl carbonate} and {xdecane+(1–x)diethyl carbonate} have been determined at the
temperature of 298.15 K and atmospheric pressure, over the whole composition
range, using a Calvet microcalorimeter. The experimental excess molar enthalpies H
m
E
are positive for all the binary systems studied over the whole composition
range. Excess molar enthalpy for the ternary system is positive as well, showing
maximum values at x
1=0, x
2=0.4920, x
3=0.5080, H
m,123
E=1524
J mol–1. 相似文献
7.
V. I. Kovalenko L. I. Maklakov E. I. Borisoglebskaya L. I. Potapova E. A. Shokova I. M. Vatsouro V. V. Kovalev 《Russian Chemical Bulletin》2007,56(6):1103-1109
Based on the Fourier transform IR spectroscopy together with the published NMR and X-ray data, it was shown that cyclic co-operative
intramolecular hydrogen bond in calix[n]arene (n = 4, 6, 8) molecules is mainly responsible for their conformational state irrespective of the presence or absence of bulky
substituents at the upper rim of the molecules. In accordance with the size of a macrocycle (n = 4, 6, 8), the stable conformation, secured by such a hydrogen bond, constitutes a cone, a pinched cone, and a pleated loop, respectively. The new, potentially competing system of hydrogen bonds in calix[6]arenes with 3-carboxymethyl-1-adamantyl
substituents does not affect the conformational state of the macrocycle and its H-bonding. Six carboxy groups at the upper
rim form in pairs three cyclic dimers, which does not disturb the hydrogen bonds of the hydroxy groups and the conformation
of the macrocycle. In addition, the cavity of the molecule is considerably enlarged. The removal or rearrangement of the guest
molecules in the solid calixarene by heating up to 180 °C only slightly affects the conformational state of macrocycles bearing
bulky substituents, whereas in calixarenes devoid of such substituents, the similar procedure leads to somewhat of a distortion
of the macrocycles (judging from the IR spectral indications of hydrogen bonding).
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1062–1068, June, 2007. 相似文献
8.
P. V. Verdes M. M. Mato J. L. Legido E. Jiménez M. I. Paz Andrade 《Journal of Thermal Analysis and Calorimetry》2007,88(2):583-586
Excess molar enthalpies, H
E,
for the binary mixtures {p-xylene+(1–x) octane}, {x
p-xylene+(1–x)
diethyl carbonate}, {x octane+(1–x) diethyl carbonate} and the corresponding ternary
system {x
1
p-xylene+x
2
octane+(1–x
1–x
2) diethyl carbonate} have
been measured by using a Calvet microcalorimeter at 298.15 K under atmospheric
pressure. The experimental H
E
values are all positive for the binary and ternary mixtures over the entire
composition range. 相似文献
9.
Hanyuan Deng 《Journal of mathematical chemistry》2008,43(1):119-133
A (n, n + 1)-graph G is a connected simple graph with n vertices and n + 1 edges. In this paper, we determine the lower bound for the Hosoya index in (n, n + 1)-graphs in terms of the order n, and characterize the (n, n + 1)-graph with the smallest Hosoya index. 相似文献
10.
T. E. Vittal Prasad A. Phanibhushan D. H. L. Prasad 《Journal of solution chemistry》2005,34(11):1263-1272
Densities and viscosities of the binary mixtures of m-cresol with 1,2-dichloroethane, 1,1,1-trichloroethane, 1,1,2,2-tetrachloroethane and tetrachloroethylene were measured at
303.15, 313.15 and 323.15 K. The measured results are used to compute the excess volumes (VE), deviations in viscosity (Δη) and excess Gibbs energy for activation of flow (ΔGE). The excess volumes, deviations in viscosity, and Gibbs energies for activation of flow are fitted to a polynomial-type
equation suggested by Scharlin et al. [J. Chem. Thermodyn. 34, 927 (2002)] and are discussed in general terms. 相似文献
11.
A differential scanning
calorimeter (DSC) was used to determine binary solid-liquid equilibria (SLE)
for dibenzofuran+n-C24 and naphthalene+n-C24 mixtures. Results obtained with this technique
were compared with those predicted by two modified UNIFAC (Universal Functional
group Acitivity Coefficients) versions. This model is employed with the idea
to extensively investigate the validity of UNIFAC (Larsen and Gmehling versions).
The corresponding activity coefficients were calculated and applied to the
prediction of non-electrolyte mixtures real behavior. Reasons of prediction
without success in the case of using original interaction parameters, were
analysed and discussed. Interesting representation of solubility diagrams
was obtained using partly readjusted UNIFAC interaction parameters. The two
systems selected can be used for contributing to develop the data base using
group contribution methods. For practical purposes, SLE are of interest in
chemical process design, especially when process conditions must be specified
to prevent precipitation of a solid. 相似文献
12.
M. Domínguez-Pérez J. Jiménez de Llano L. Segade C. Franjo O. Cabeza 《Journal of Thermal Analysis and Calorimetry》2005,79(2):289-293
Summary This paper reports excess molar enthalpies of the binary systems hexane+ethyl benzene, hexane+o-xylene, hexane+m-xylene and hexane+p-xylene at 298.15 K and atmospheric pressure, over the whole composition range. The data was measured directly using a Calvet microcalorimeter. The excess magnitude was correlated to a Redlich-Kister type equation for each mixture. Also, we will discuss the results for the four mixtures studied here and by comparison with the same binary systems but containing propyl propanoate as first component. Finally, we will correlate our results with the Nitta-Chao and the three UNIFAC theoretical approximations. 相似文献
13.
The molar heat capacities of the binary mixture
composed of water and n-butanol were measured with an adiabatic calorimeter
in the temperature range 78–320 K. The functions of the heat capacity
with respect to thermodynamic temperature were established. A glass transition,
solid–solid phase transition and solid–liquid phase transition
were observed. The corresponding enthalpy and entropy of the solid–liquid
phase transition were calculated, respectively. The thermodynamic functions
relative to a temperature of 298.15 K were derived based on the relationships
of the thermodynamic functions and the function of the measured heat capacity
with respect to temperature. 相似文献
14.
I. A. Novakov V. V. Korolkov A. I. Pavlyuchko B. S. Orlinson L. A. Gribov 《Journal of Structural Chemistry》2004,45(4):563-569
An ab initio (6-31G**) study of binary associates of aniline and n-propylamine with nitrobenzene and m-cresol has been carried out. The structures corresponding to the total energy minimum of the system have been found for the associates, and their geometrical and energy characteristics have been determined. Basic types of intermolecular interactions have been established, and their effects on the reactivity of the amino group have been investigated.Original Russian Text Copyright © 2004 by I. A. Novakov, V. V. Korolkov, A. I. Pavlyuchko, B. S. Orlinson, and L. A. GribovTranslated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 4, pp. 595–601, July–August, 2004.This revised version was published online in April 2005 with a corrected cover date. 相似文献
15.
M. Madesclaire V. P. Zaitsev J. V. Zaitseva S. Kh. Sharipova 《Chemistry of Heterocyclic Compounds》2007,43(10):1325-1332
A synthesis is reported for (4R,5R)-and (4S,5S)-4-hydroxymethyl-5-(4-nitrophenyl)oxazolidin-2-ones and (1′R,4R)-and (1′S,4S)-4-[hydroxy(4-nitrophenyl)methyl]oxazolidin-2-ones from (1R,2R)-and (1S,2S)-2-amino-1-(4-nitrophenyl)-1,3-propanediols. The effect of the experimental conditions on the formation of these compounds
was studied.
__________
Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 10, pp. 1562–1570, October, 2007. 相似文献
16.
G. A. Abakumov V. K. Cherkasov T. N. Kocherova N. O. Druzhkov Yu. A. Kurskii M. P. Bubnov G. K. Fukin L. G. Abakumova 《Russian Chemical Bulletin》2007,56(9):1849-1856
New sterically hindered functionalized o-quinones were synthesized by the 1,4-nucleophilic addition of secondary cyclic amines to 3,6-di(tert-butyl)-o-benzoquinone. The ability of these o-quinones to form o-semiquinone complexes with transition and main-group metals was studied by ESR spectroscopy in solution.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 9, pp. 1786–1793, September, 2007. 相似文献
17.
Excess molar volumes and relative permittivities at a frequency of 30 kHz were determined precisely for the binary mixtures of 1-alkanols, CnH2n+1OH for n = 1 to 10, with cyclohexane or n-heptane to the mole fraction of 1-alkanol, x, to 0.1 at a temperature of 298.15 K. Apparent dipole moments, , of the 1-alkanols were calculated by using the Frohlich equation, and the limiting values, 0, were determined by extrapolating to infinite dilution. The solvent effect on 0 was very small. The value of 0 was largest in methanol and decreased with increasing n. It was found that the alkanols were isolated up to x 0.003. The threshold of molecular interaction beyond this critical mole fraction was ascertained by means of FT-IR spectra. The dipole moments of the 1-alkanols for n = 1–4 were evaluated by ab initio calculations. The average values of 0 for the rotational configurations calculated by assuming the Boltzmann distribution agreed excellently with the observed ones. The excess partial molar volumes of 1-alkanols determined at the infinite dilution depended on n as well as the solvent. These results are discussed from the viewpoint of the interactions between the solute and solvent molecules. 相似文献
18.
V. D. Kiselev E. A. Kashaeva L. N. Potapova A. I. Konovalov 《Russian Chemical Bulletin》2007,56(3):494-498
The effect of hydrostatic pressure below 1000 kg cm−2 on the rate of reactions of o-and p-nitrophenylsulfenyl chlorides with styrene and cyclohexene was studied. The activation and reaction volumes (cm3 mol−1) for the reactions of o-nitrophenylsulfenyl chloride with styrene in acetonitrile (−23.1 and −23.6), 1,2-dichloroethane (−29.2 and −24.7), chlorobenzene
(no, −20.2), and anisole (−25.1 and −21.2) and for the reaction of p-nitrophenylsulfenyl chloride with styrene in carbon tetrachloride (−39.5±1.5 and −22.0) were determined. In carbon tetrachloride
the activation volumes for the reactions of cyclohexene with o-and p-nitrophenylsulfenyl chlorides (−37.7±2.0 and −40.9±1.2 cm3 mol−1, respectively) are almost the same and coincide with the data for the reactions with styrene. The considerable decrease in
the volume of the transition state in the nonpolar solvent is considered as a consequence of the enhanced electrostriction
of carbon tetrachloride in the solvate sphere of the transition state of the reaction, which excludes the nonpolar transition
state of the sulfuran type.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 477–480, March, 2007. 相似文献
19.
Ahmad Shaabani Ebrahim Soleimani Maria Darvishi 《Monatshefte für Chemie / Chemical Monthly》2007,138(1):43-46
Summary. The three-component condensation of aldehyde, N,N′-dimethylbarbituric acid and alkyl or aryl isocyanide afforded the corresponding furo[2,3-d]pyrimidine-2,4(1H,3H)-diones in 1-butyl-3-methylimidazolium bromide as an ionic liquid in high yields at room temperature within several minutes. 相似文献
20.
The dried and aerial part of Linum mucronatum ssp. mucronatum was analyzed by gas chromatography-mass spectrometry (GC-MS). Two aryltetralin lignans, podophylloyoxin, 6-methoxypodophylloyoxin, and β-peltatin, were identified. This is the first report of the analysis of L. mucronatum ssp. mucronatum.__________Published in Khimiya Prirodnykh Soedinenii, No. 1, pp. 24–25, January–February, 2005. 相似文献