کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10378261 | 880751 | 2005 | 4 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular modeling study on the relative stabilities of the flotation products for arsenic-containing minerals: dixanthogens and arsenic(III) xanthates
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
شیمی کلوئیدی و سطحی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Molecular modeling study on the relative stabilities of the flotation products for arsenic-containing minerals: dixanthogens and arsenic(III) xanthates Molecular modeling study on the relative stabilities of the flotation products for arsenic-containing minerals: dixanthogens and arsenic(III) xanthates](/preview/png/10378261.png)
چکیده انگلیسی
The interactions of As(III) ion with C2H5OCSâ2 and C2H5SCSâ2, known as the most popular collector ions, were studied by density functional theory (DFT) at the B3LYP/6-31G** level in connection with the arsenic-containing minerals realgar, orpiment, and arsenopyrite. The dixanthogen formations of these ions were also investigated at the same level of theory. The central purpose of this paper is to compare the stabilities of the major flotation products, namely As(III) xanthates and dixanthogens. The results show that the magnitudes of the interaction energies for the formations of As(III) xanthates and dixanthogens increase when the oxygen atom is replaced by the sulfur atom in C2H5OCSâ2. Therefore, the C2H5OCSâ2 ion is preferred in these formations. The results obtained are in agreement with the experimental data reported.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Colloid and Interface Science - Volume 284, Issue 2, 15 April 2005, Pages 694-697
Journal: Journal of Colloid and Interface Science - Volume 284, Issue 2, 15 April 2005, Pages 694-697
نویسندگان
Meftuni Yekeler, Hülya Yekeler,