کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9591221 | 1507010 | 2005 | 16 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Bicanonical Monte Carlo simulation of the structural properties of Clâ(H2O)N clusters using entropy data based model
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Bicanonical Monte Carlo simulation of the structural properties of Clâ(H2O)N clusters using entropy data based model Bicanonical Monte Carlo simulation of the structural properties of Clâ(H2O)N clusters using entropy data based model](/preview/png/9591221.png)
چکیده انگلیسی
The effect of ousting the ion to the surface of the cluster is observed even after switching off many-body polarization interaction. The non-monotonous behaviour of the entropy of small clusters at stratospheric temperatures as a function of cluster size is a manifestation of 'magic numbers' effect. At low pressures the hydration shell consists of a single layer and only in the vapour close to saturation the formation of different hydration spheres begins. The overall anion hydration shell has pronounced radial and orientational flaky structures. Establishing orientational order in the cluster has cooperative character and is influenced to an essential degree by hydrogen bonds between the molecules. The presence of the ion reduces the length of most probable water molecules rings.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 725, Issues 1â3, 11 July 2005, Pages 191-206
Journal: Journal of Molecular Structure: THEOCHEM - Volume 725, Issues 1â3, 11 July 2005, Pages 191-206
نویسندگان
S.I. Lukyanov, Z.S. Zidi, S.V. Shevkunov,