Die <i>PVT</i>‐Daten des Acetonitrils bis 450 °C und 2500 bar

Francesconi, A.Z.; Franck, E. U.; Lentz, H.

doi:10.1002/bbpc.19750791012

Cited by 56 publications

(23 citation statements)

References 21 publications

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“…The difference between these two sets is small which shows the quality of the measurements. Graphical extrapolation to K-+0 in the range 0 ~<K ~<0.3 A -~ indicated by the dashed line in figure 3 yields (see equation (10)) an isothermal compressibility of (142 + 14) 10 -lam 2 N -~, which is in very good agreement with the experimental value of (150+ 3) 10 -xlm 2 N -a [30]. This is an interesting test of the value of our absolute measurements.…”

Section: Placzek Correction and Normalizationsupporting

confidence: 76%

A neutron-diffraction study of liquid acetonitrile

1976

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Neutron-diffraction studies on liquid deuterated acetonitrile at 20~C were carried out at neutron wavelengths of 0"5 A and 0.7 A.. For the latter wavelength samples of two different diameters were measured.The data were corrected for background, absorption, multiple scattering and inelastic effects (Placzek correction) and then were normalized to absolute differential cross section by comparison with vanadium standard. The different steps in the correction procedure were experimentally verified.The absolute coherent distinct differential cross section was separated into intermolecular and intramolecular contributions. The variation of molecular structure in passing from the gas phase to the liquid was obtained from this intramolecular contribution. INTRODUCTIONIn molecular liquids as opposed to simple atomic liquids non-central forces are generally important [1] and this results in more complicated expressions for molecular correlation functions which are needed in statistical calculations of thermodynamic properties of liquids. The pair-correlation function which plays a central role within the pair theory of liquids depends for molecules not only on the separation between molecules but also on their relative orientations [2][3][4]. This molecular pair-correlation function may in principle be determined from diffraction experiments [5] but a large number of different experimental data from neutron diffraction using different isotopes and X-ray diffraction are required.The present investigation was carried out in order to provide as much diffraction data as possible for one molecular liquid. Acetonitrile was chosen since X-ray data are already available [6] and at least two different neutrondiffraction studies on the isotopes CD3C14N and CD3CISN are feasible. In the present paper data for CDaCI~N are presented, whereas results for CD3CISN will be published in a second part of this series.Acetonitrile seems to be quite an appropriate example to study. Its large electric dipole moment of 3-92 D t and its comparatively high boiling point indicate strong non-central intermolecular forces and preliminary interpretations of the X-ray data [6] seem to favour strong orientational correlations. On the other hand, the acetonitrile molecule possesses structural symmetry which facilitates evaluation of the molecular pair-correlation function [2] and also its gasphase structure is well established [7][8][9].

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Section: Placzek Correction and Normalizationsupporting

confidence: 76%

A neutron-diffraction study of liquid acetonitrile

1976

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“…Schematic representation of acetonitrile. Vapor-liquid coexistence curve of acetonitrile given the equilibrium temperature versus the molecular density obtained in this work (triangles) compared with experimental data of Francesconi et al 32 (circles) and Warowny 35 (cross symbols). Figure 5.…”

Section: Resultsmentioning

confidence: 73%

“…Vapor-liquid coexistence curve of acetonitrile given the equilibrium temperature versus the molecular density obtained in this work (triangles) compared with experimental data of Francesconi et al [32] (circles) and Warowny [35] (cross symbols) Fig. 5 Vapor pressure of acetonitrile obtained in this work (triangles) compared with both experimental datas (of Charmuradov [31] (plus symbols) and Warowny [35] cross symbols)) and previous simulated data obtained earlier by Hloucha et al [40] (squares) Figure 5 plots the vapor pressure dependence of acetonitrile over the temperature.…”

Section: Figmentioning

confidence: 70%

“…Figure 4 plots the variation of the temperature versus the density in the two phases. We compared our values (triangle up) with both experimental data obtained by Francesconi et al [32] presented by circles and those provided by Warowny [35] (cross symbol). We can see that simulation points show a good agreement with experimental data.…”

Section: Initialization Stepmentioning

confidence: 92%

“…Besides, acetonitrile (methyl cyanide, C 2 H 3 N) is the nitrile compound for which consistent experimental data are the most abundant [31][32][33][34][35]; spanning both vapor-liquid equilibrium curve and compressed liquid properties for a wide range of temperature and pressure.…”

Section: Calculations Details Acetonitrile As Reference Componentmentioning

confidence: 99%

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