کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5363905 | 1388308 | 2008 | 7 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A study of growth mechanism of KDP and ADP crystals by means of quantum chemistry
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Impurity adsorption, crystal growth by adsorption of growth unit and step-pinning mechanism of metal ion adsorption were investigated for potassium dihydrogen phosphate (KDP; KH2PO4) and ammonium dihydrogen phosphate (ADP; NH4H2PO4) by quantum chemistry. In this study, the ideal crystal morphologies, the growth unit and the crystal surface with and without metal ions were calculated and analyzed by using electrostatic property. It is found that the computational results based on electrostatic potential distribution can account for the observed behaviours on KDP and ADP crystal growth.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 254, Issue 15, 30 May 2008, Pages 4524-4530
Journal: Applied Surface Science - Volume 254, Issue 15, 30 May 2008, Pages 4524-4530
نویسندگان
Yusuke Asakuma, Qin Li, H. Ming Ang, Moses Tade, Kouji Maeda, Keisuke Fukui,