کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5410235 | 1506556 | 2016 | 11 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Generalization of the model of Debye-Hückel according to a matrix approach. Application to the calculation of the potential of mean force in the case of electrolytes, polyelectrolytes and colloids
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
In this paper we have generalized on the basis of the superposition principle, the Debye-Hückel model in the case of a spatial distribution of “n” fixed ions surrounded by an ionic atmosphere. According to this approach, the mean electrostatic potential at a position M is written as a sum of individual screened Coulomb potentials: âni = 1(Zie/ε)Aiexp(â Ïri)/ri. The electro-neutrality condition allows the obtaining of the exact expression of the superposition coefficients {Ai} in terms of the elements {Dij} of an explicit n-n matrix [D] which depend on the effective radii Ri of the ions and on their distances of separation dij. As applications: a) we have improved the expression of the PMF's approximation of Debye; b) we have simplified and resolved in the limits of this model, the BBGKY hierarchy, in order to obtain the PMF potential Wij(dij) and hence the screen parameter Ï from the second Stillinger-Lovett restriction; c) we have also proposed an explicit expression for the electrostatic part of the DLVO potential; and finally, d) we have justified and improved the potentials of interaction of Yukawa between chain groups in the case of polyelectrolyte solutions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Liquids - Volume 214, February 2016, Pages 196-206
Journal: Journal of Molecular Liquids - Volume 214, February 2016, Pages 196-206
نویسندگان
Sondès Boughammoura, Jalel Mhalla,