Abstract:
By applying linear response theory to mechanical perturbations, a new Green-Kubo-type formula for the sedimentation coefficients is derived. All species are treated on the same footing, and the dependence of the sedimentation coefficient on the reference frame is carefully taken into account. The connection between the sedimentation and the interdiffusion (or mutual diffusion) coefficients is examined from a microscopic point of view for a two component system, and it is shown that the Svedberg relation follows from the present results by a simple microscopic reference frame transformation. © 1989 American Institute of Physics.
Registro:
Documento: |
Artículo
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Título: | A Green-Kubo formula for the sedimentation coefficients |
Autor: | Raineri, F.O.; Timmermann, E.O. |
Filiación: | Chemistry Department, State University of New York, Stony Brook, NY 11794, United States Departamento de Química Inorgánica, Analítica y Química Física, Universidad de Buenos Aires, Ciudad Universitaria, Pabellón 2, (1428) Buenos Aires, Argentina
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Año: | 1989
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Volumen: | 91
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Número: | 6
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Página de inicio: | 3685
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Página de fin: | 3688
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DOI: |
http://dx.doi.org/10.1063/1.456849 |
Título revista: | The Journal of Chemical Physics
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ISSN: | 00219606
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00219606_v91_n6_p3685_Raineri |
Referencias:
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- Kubo, R., (1957) J. Phys. Soc. Jpn., 12, p. 570
- Kubo, R., Toda, M., Hashitsume, N., (1985) Statistical Physics II, , (Springer, Berlin)
- Watts, R.O., McGee, I.J., (1976) Liquid State Physical Chemistry, , (Wiley, New York)
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- Raineri, F.O., Timmermann, E.O., (1986) J. Chem. Soc. Faraday Trans. 2, 82, p. 1339
- Raineri, F.O., Timmermann, E.O., (1988), 84, p. 427. , J. Chem. Soc., Faraday Trans. 2; Raineri, F.O., Timmermann, E.O., (1986) J. Chem. Soc. Faraday Trans. 2, 82, p. 1351
- Raineri, F.O., Timmermann, E.O., (1988), 84, p. 428. , J. Chem. Soc., Faraday Trans. 2; Peller, L., (1958) J. Chem. Phys., 29, p. 415
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- Comper, W.D., Preston, B.N., Daivis, P., (1986) J. Phys. Chem., 90, p. 128
- The interdiffusion (or mutual diffusion) coefficient (volume-fixed reference frame) is defined through the constitutive equation [formula omitted]; Ahn, M.K., Jensen, J.K., Kivelson, D., (1972) J. Chem. Phys., 57, p. 2940
- Raineri, F.O., Friedman, H.L., J. Chem. Phys., , (in press)
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- Friedman, H.L., Raineri, F.O., Wood, M.D., Chem. Scr., , (to be published)
- Altenberger, A.R., Dahler, J.S., Tyrrell, M., (1987) J. Chem. Phys., 86, p. 2909. , We note that the Green-Kubo formulas for the phenomenological coefficients of an internal reference frame R reported in Ref. 9 agree with the expression [formula (5.23) at zero wave vector] derived by these authors. These coefficeints take part in the correct phenomenological equations which involve thermodynamic forces that are different for different reference frames [see Ref. 2, Chap. XI and also Ref. 23, Eq. (18)]. The interpretation by Altenberger and Tirrell (Refs. 24 and 25) of the microscopic expression of the mutual diffusion coefficient, however, differs from Eq. (3.1) of the present report, as they associate this quantity (at least to write its microscopic expression) to the laboratory reference frame
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- Altenberger, A.R., Tirrell, M., (1984) J. Pol. Sci. Polym. Phys. Ed., 22, p. 909. , This reference covers some of the problems that are considered here
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Citas:
---------- APA ----------
Raineri, F.O. & Timmermann, E.O.
(1989)
. A Green-Kubo formula for the sedimentation coefficients. The Journal of Chemical Physics, 91(6), 3685-3688.
http://dx.doi.org/10.1063/1.456849---------- CHICAGO ----------
Raineri, F.O., Timmermann, E.O.
"A Green-Kubo formula for the sedimentation coefficients"
. The Journal of Chemical Physics 91, no. 6
(1989) : 3685-3688.
http://dx.doi.org/10.1063/1.456849---------- MLA ----------
Raineri, F.O., Timmermann, E.O.
"A Green-Kubo formula for the sedimentation coefficients"
. The Journal of Chemical Physics, vol. 91, no. 6, 1989, pp. 3685-3688.
http://dx.doi.org/10.1063/1.456849---------- VANCOUVER ----------
Raineri, F.O., Timmermann, E.O. A Green-Kubo formula for the sedimentation coefficients. 1989;91(6):3685-3688.
http://dx.doi.org/10.1063/1.456849