Artículo
Abstract:
The properties of infinitely dilute solutes in near-critical solvents often show a strong change in curvature when plotted against the bulk fluid density, in some cases even a plateau region is observed. In this article, it is shown that this phenomenon, due to a local solvent density enhancement, can be construed as a consequence of the linear response of fluids having large compressibilities when the solutes interact strongly with the solvent molecules. The hydrostatic hypernetted chain (HHNC) solution of the Ornstein-Zernike (OZ) equation for inhomogeneous fluids was used to calculate the solvent-solute radial distribution function and the number of solvent molecules that surround the solute particle for different solute-solvent interaction energies and reduced temperatures. The use of HHNC eliminates physically unsound features of the calculations, which employ theories for homogeneous fluids, and it also limits the extent and range of the local density enhancement. It is shown that the performance of the relatively simple HHNC theory is as satisfactory as that of more sophisticated theories and that it is able to describe adequately experimental spectroscopic and kinetic results confirming that the phenomenon involves the coupling of intermolecular interactions with the high susceptibility of the near-critical fluids. It is noted, however, that the magnitude of the solute-solvent interactions required to fit the experimental results are larger than expected from known values of the solutes' intermolecular energy (∈2/k).
Registro:
| Documento: | Artículo |
| Título: | Study of local density enhancement in near-critical solutions of attractive solutes using hydrostatic hypernetted chain theory |
| Autor: | Fernández-Prini, R. |
| Filiación: | Unidad Actividad Química, Comisión Nacional de Energía Atómica, Av. Libertador 8250, 1429 Capital Federal, Argentina INQUIMAE, Facultad Ciencias Exactas y Naturales, Universidad de Buenos Aires, Pabellón II, Ciudad Universitaria, 1428-Capital Federal, Argentina |
| Palabras clave: | Bulk fluid densities; Near-critical solutions; Density of liquids; Molecules; Solvents; Spectroscopic analysis; Solutions |
| Año: | 2002 |
| Volumen: | 106 |
| Número: | 12 |
| Página de inicio: | 3217 |
| Página de fin: | 3225 |
| DOI: | http://dx.doi.org/10.1021/jp013034h |
| Título revista: | Journal of Physical Chemistry B |
| Título revista abreviado: | J Phys Chem B |
| ISSN: | 10895647 |
| CODEN: | JPCBF |
| Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10895647_v106_n12_p3217_FernandezPrini |
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Citas:
---------- APA ----------
(2002) . Study of local density enhancement in near-critical solutions of attractive solutes using hydrostatic hypernetted chain theory. Journal of Physical Chemistry B, 106(12), 3217-3225.http://dx.doi.org/10.1021/jp013034h
---------- CHICAGO ----------
Fernández-Prini, R. "Study of local density enhancement in near-critical solutions of attractive solutes using hydrostatic hypernetted chain theory" . Journal of Physical Chemistry B 106, no. 12 (2002) : 3217-3225.http://dx.doi.org/10.1021/jp013034h
---------- MLA ----------
Fernández-Prini, R. "Study of local density enhancement in near-critical solutions of attractive solutes using hydrostatic hypernetted chain theory" . Journal of Physical Chemistry B, vol. 106, no. 12, 2002, pp. 3217-3225.http://dx.doi.org/10.1021/jp013034h
---------- VANCOUVER ----------
Fernández-Prini, R. Study of local density enhancement in near-critical solutions of attractive solutes using hydrostatic hypernetted chain theory. J Phys Chem B. 2002;106(12):3217-3225.http://dx.doi.org/10.1021/jp013034h
