کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
612765 | 880706 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Monte Carlo modeling of ion adsorption at the energetically heterogeneous metal oxide/electrolyte interface: Micro- and macroscopic correlations between adsorption energies
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
شیمی کلوئیدی و سطحی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Grand canonical Monte Carlo simulations are carried out for the basic Stern model of the electrical double layer formed at the energetically heterogeneous metal oxide/electrolyte interface. The effect of the global (macroscopic) and local (microscopic) adsorption energies correlations as well as the influence of the model parameter on the surface charge density curves were investigated. The linear dependence of point of zero charge (PZC) as a function of H+ ion adsorption energy proves that the acidic/basic properties of the system are mainly governed by proton uptake/release. Two kinds of systems were taken into account: one neglecting lateral interactions and the other one including them. The effect of electrolyte concentrations as well as the surface heterogeneity on the surface charge density curves were shown too. The presented simulation algorithm allows to model two experimentally observed instances of the metal oxide/electrolyte interface: one possessing a common intersection point (CIP) at pHÂ =Â PZC and the other one with CIPÂ â Â PZC.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Colloid and Interface Science - Volume 306, Issue 2, 15 February 2007, Pages 328-336
Journal: Journal of Colloid and Interface Science - Volume 306, Issue 2, 15 February 2007, Pages 328-336
نویسندگان
Piotr Zarzycki,