کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
194890 459802 2007 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Monte Carlo study of the electrode|solvent primitive model electrolyte interface
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
Monte Carlo study of the electrode|solvent primitive model electrolyte interface
چکیده انگلیسی

Results of a Monte Carlo simulation of the electrode|electrolyte interface with and without solvent molecules are reported. The solvent molecules are modelled by neutral hard spheres immersed in a homogeneous dielectric medium. Calculations have been performed for 1:1 and 1:2 electrolytes at c = 1 M, with packing fraction η = 0.3 when the solvent molecules were present, and at a wide range of electrode charge. Insertion of the solvent molecules induces a layering of ion and solvent molecules in the vicinity of the electrode surface. The presence of the solvent molecules reduces the thickness of the electric double layer, lowers the value of the mean electrostatic potential and raises capacitance. The differential capacitance results are compared with the MPB theory predictions.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Electrochimica Acta - Volume 52, Issue 7, 1 February 2007, Pages 2429–2436
نویسندگان
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