کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
10155527 1666352 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Molecular dynamics simulations of P2O5-Fe2O3-FeO-Na2O glasses
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
پیش نمایش صفحه اول مقاله
Molecular dynamics simulations of P2O5-Fe2O3-FeO-Na2O glasses
چکیده انگلیسی
In the paper classical molecular dynamics simulations were used to study the influence of the gradual addition of Na2O on the structure of 55P2O5-30Fe2O3-15FeO glass. Increasing sodium content in the glass causes depolymerization of the glass network and increasing number of non-bridging oxygens in [PO4] tetrahedra. The number of chemical durable P-O-Fe bridges decreases and they are replaced by P-O-Na. This leads to separation of iron cations from [PO4] units and formation of iron oxides clusters. The network of the glass with over 30 mol% of Na2O consists mainly of separated [PO4] tetrahedra and short pyrophosphate chains of [P2O7]4−. The glass structural properties due to sodium content increase are discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Non-Crystalline Solids - Volume 500, 15 November 2018, Pages 70-77
نویسندگان
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