کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5418470 | 1506996 | 2006 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Computational study on thermodynamics of mixing and phase behaviour for CoO/FeO and CoO/MnO solid solutions
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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, a modified Monte Carlo technique, referred to as Monte Carlo exchange (MCX), is used to investigate the thermodynamic properties of CoO/FeO and CoO/MnO solid solutions. From MCX simulations the phase behaviour of CoO/FeO and CoO/MnO systems can be studied. The results show that these two systems exhibit a high degree of linear dependence of unit cell volume on composition. The calculated enthalpy of mixing shows very near-ideal behaviour at all compositions for CoO/FeO, but it predicts small positive deviation for CoO/MnO. The CoO/FeO solid solutions are completely miscible and form a single phase at all compositions (300, 1000, and 2000Â K). The CoO/MnO solid solutions form two-phase region at 300Â K but at high-temperatures (1000 and 2000Â K) they are completely miscible and form a single phase at all compositions.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 761, Issues 1â3, 17 March 2006, Pages 171-175
Journal: Journal of Molecular Structure: THEOCHEM - Volume 761, Issues 1â3, 17 March 2006, Pages 171-175
نویسندگان
S.B. Pongsai,