کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
6632242 1424948 2018 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Coal ash fusion properties from molecular dynamics simulation: the role of calcium oxide
ترجمه فارسی عنوان
خواص همجوشی ذغال سنگ ذرات از شبیه سازی دینامیک مولکولی: نقش اکسید کلسیم
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی مهندسی شیمی (عمومی)
چکیده انگلیسی
The role of calcium oxide on ash fusion properties was investigated in this work by molecular dynamics simulations and thermodynamics calculations. The variation of volume was used to identify the melting points, which was compared with the liquidus temperature calculated by the FactSage codes. The phase diagram was calculated to explain the variation of melting points with the content of calcium oxide. The radial distribution functions and species of oxygen bonding were employed to characterize the structural evolution with the different fraction of calcium oxide. The melting point of anorthite is lower than that of mullite due to less tricluster oxygen atoms. The content of CaO with high flux efficiency in (SiO2)2-Al2O3-CaO is found from 5.00% to 15.00%. The current modelling work on melting behaviors of minerals containing various amount of CaO may provide new insight into the mechanism of ash fusion influenced by flux.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Fuel - Volume 216, 15 March 2018, Pages 760-767
نویسندگان
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