کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9575692 | 1504351 | 2005 | 13 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
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![عکس صفحه اول مقاله: Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids Ultrafast solvent response upon a change of the solute size in non-polar supercritical fluids](/preview/png/9575692.png)
چکیده انگلیسی
Non-polar solvation dynamics has been investigated using steady-state absorption and emission spectroscopy of the NO A 2Σ+(3sÏ) Rydberg state in fluid Ar over a wide range of densities spanning the supercritical regime. Equilibrium molecular dynamics simulations were implemented to derive a new isotropic NO A(3sÏ)-Ar pair potential which was further used to investigate the role of local density enhancements on the solvation process by non-equilibrium molecular dynamics simulations. These density inhomogeneities were found to have no influence on the solvation dynamics. Furthermore, the latter was shown to take place in a strongly non-linear regime, especially at low temperatures. This process results from the dramatic change of solute-solvent short range interaction associated with the large solute size change upon excitation to the Rydberg state.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 308, Issues 1â2, 10 January 2005, Pages 13-25
Journal: Chemical Physics - Volume 308, Issues 1â2, 10 January 2005, Pages 13-25
نویسندگان
P. Larrégaray, A. Cavina, M. Chergui,