Ultrafast energy relaxation and anisotropy decay of the librational motion in liquid water: A molecular dynamics study
We theoretically investigate intermolecular motions in liquid water in terms of third-order infrared (IR) spectroscopy. We calculate two-dimensional (2D) IR spectra, pump-probe signals, and three-puls...
We theoretically investigate intermolecular motions in liquid water in terms of third-order infrared (IR) spectroscopy. We calculate two-dimensional (2D) IR spectra, pump-probe signals, and three-puls...
Solid-solid phase transition in hard ellipsoids
We present a computer simulation study of the crystalline phases of hard ellipsoids of revolution. A previous study [P. Pfleiderer and T. Schilling, Phys. Rev. E 75, 020402 (2007)]. showed that for as...
We present a computer simulation study of the crystalline phases of hard ellipsoids of revolution. A previous study [P. Pfleiderer and T. Schilling, Phys. Rev. E 75, 020402 (2007)]. showed that for as...
Local and global properties of mixtures in one-dimensional systems. II. Exact results for the Kirkwood–Buff integrals
J. Chem. Phys. 131, 164512 (2009); doi:10.1063/1.3256234
Published 29 October 2009
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The Kirkwood–Buff integrals for two-component mixtures in one-dimensional systems are calculated directly. The results are applied to square-well particles and found to agree with those obtained by the inversion of the Kirkwood–Buff theory of solutions.
©2009 American Institute of Physics
| History: | Received 2 September 2009; accepted 7 October 2009; published 29 October 2009 |
| Permalink: |
http://link.aip.org/link/?JCPSA6/131/164512/1 |
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REFERENCES (10)
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- A. Ben-Naim, J. Chem. Phys. 128, 084510 (2008)
- A. Ben-Naim, Molecular Theory of Solutions (Oxford University Press, Oxford, 2006).
- Z. W. Salsburg, R. W. Zwanzig, and J. G. Kirkwood, J. Chem. Phys. 21, 1098 (1953).
- J. L. Lebowitz and D. Zomick, J. Chem. Phys. 54, 3335 (1971).
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Fluid Phase Equilib. 220, 83 (2004) . - A. Santos, Phys. Rev. E 76, 062201 (2007).
- L. van Hove,
Physica (Amsterdam) 16, 137 (1950) . - J. G. Kirkwood and F. P. Buff, J. Chem. Phys. 19, 774 (1951).
- A. Ben-Naim, Molecular Theory of Water and Aqueous Solutions (World Scientific, Singapore, 2009).
- It must be noted that the curves in Ref. 1 labeled as
=−2.5, −5, −7.5, and −10 actually correspond to =−3.5, −6, −8.5, and −11, respectively.
