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Attractive and repulsive interactions among methanol molecules in supercritical state investigated by Raman spectroscopy and perturbed hard-sphere theory
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10.1063/1.1858442
    + View Affiliations - Hide Affiliations
    Affiliations:
    1 Department of Physics, Faculty of Science, Chiba University, Yayoi, Inage, Chiba 263-8522, Japan
    2 Division of Physics and Chemistry, Graduate School of Science and Technology, Chiba University, Yayoi, Inage, Chiba 263-8522, Japan
    a) Author to whom correspondence should be addressed. Present address: Material Science Center, Natural Science Center for Basic Research and Development, Hiroshima University, 1-3-1 Kagamiyama, Higashi hiroshima 739-8526, Japan. Fax: +81-82-424-7487. Electronic mail: saitow@hiroshima-u.ac.jp
    J. Chem. Phys. 122, 104502 (2005); http://dx.doi.org/10.1063/1.1858442
/content/aip/journal/jcp/122/10/10.1063/1.1858442
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/10/10.1063/1.1858442

Figures

Image of FIG. 1.
FIG. 1.

Measured thermodynamic states of Raman spectra of supercritical methanol plotted on (a) phase diagram and (b) phase diagram. Measurements are carried out along the isotherm line of reduced temperature by increasing pressures.

Image of FIG. 2.
FIG. 2.

Typical example of Raman spectrum of the liquid methanol at room temperature condition.

Image of FIG. 3.
FIG. 3.

Raman spectra of stretching mode of methanol in the supercritical state at the reduced temperature (522.9 K). The measured pressures are written in the left side and the corresponding reduced densities are also written at the right side.

Image of FIG. 4.
FIG. 4.

Density dependencies of (a) peak position and (b) spectral width of Raman spectrum of stretching mode. Solid lines are to guide the eye.

Image of FIG. 5.
FIG. 5.

Spectral shift (%) from the isolated condition as a function of the Onsager reaction field.

Image of FIG. 6.
FIG. 6.

Spectral shifts as a function of packing fraction and reduced density . Solid triangles, open circles, and solid circles are repulsive, net, and attractive shifts, respectively.

Image of FIG. 7.
FIG. 7.

Calculated homogeneous inhomogeneous widths.

Image of FIG. 8.
FIG. 8.

(a) Attractive shift as a function of reduced density , analyzed by the Onsager reaction field. (b) Local density enhancement of supercritical methanol at obtained from the reaction field analysis. Units of the local density enhancement and bulk density are number density in the volume of . The corresponding reduced density is represented in the top axis.

Image of FIG. 9.
FIG. 9.

Local density enhancements of supercritical methanol obtained from the analysis of the NMR data performed at (Ref. 73).

Image of FIG. 10.
FIG. 10.

(a) Attractive shift as a function of local density. The attractive shifted amount is derived from the curve of Fig. 8(a), and the local density is given by the summation of bulk density and local density enhancement. (b) The difference between the actual local density and averaged local density as a function of bulk density. (c) Fluctuation of local density as a function of bulk density.

Image of FIG. 11.
FIG. 11.

Fluctuation of bulk density obtained from the isothermal compressibility, which is given by the state of equation in relation to .

Tables

Generic image for table
Table I.

Peak positions and spectral widths of stretching mode of neat supercritical methanol measured at 522.9 K as a function of density.

Generic image for table
Table II.

Parameters of stretching mode of methanol molecule.

Generic image for table
Table III.

Shifted amounts from the isolated condition of stretching mode as a function of density and/or packing fraction. Total, repulsive, and attractive shifts are obtained as experimental, calculated, and empirical values, respectively.

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/content/aip/journal/jcp/122/10/10.1063/1.1858442
2005-03-07
2014-04-17
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Attractive and repulsive interactions among methanol molecules in supercritical state investigated by Raman spectroscopy and perturbed hard-sphere theory
http://aip.metastore.ingenta.com/content/aip/journal/jcp/122/10/10.1063/1.1858442
10.1063/1.1858442
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