کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
4700609 1637716 2009 10 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Structural control over equilibrium silicon and oxygen isotopic fractionation: A first-principles density-functional theory study
موضوعات مرتبط
مهندسی و علوم پایه علوم زمین و سیارات ژئوشیمی و پترولوژی
پیش نمایش صفحه اول مقاله
Structural control over equilibrium silicon and oxygen isotopic fractionation: A first-principles density-functional theory study
چکیده انگلیسی

Isotopic fractionation factors for oxygen and silicon in selected silicates (quartz, enstatite, forsterite, lizardite, kaolinite) are calculated using first-principles methods based on density-functional theory. Good agreement between theory and experiment is found in the case of oxygen. In the case of silicon, agreement and differences with existing estimates of equilibrium fractionation factors are discussed. The relationship between silicon and oxygen fractionation factors, silicate polymerization degree and chemical composition is studied and compared with previous semi-empirical models.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Geology - Volume 258, Issues 1–2, 15 January 2009, Pages 28–37
نویسندگان
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