کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1565315 | 1514199 | 2014 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular structures and thermodynamic properties of monohydrated gaseous iodine compounds: Modelling for severe accident simulation
ترجمه فارسی عنوان
ساختارهای مولکولی و خواص ترمودینامیکی ترکیبات یونی گازی منحوثه شده: مدلسازی برای شبیه سازی تصادف شدید
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موضوعات مرتبط
مهندسی و علوم پایه
مهندسی انرژی
انرژی هسته ای و مهندسی
چکیده انگلیسی
Monohydrated complexes of iodine species (I, I2, HI, and HOI) have been studied by correlated ab initio calculations. The standard enthalpies of formation, Gibbs free energy and the temperature dependence of the heat capacities at constant pressure were calculated. The values obtained have been implemented in ASTEC nuclear accident simulation software to check the thermodynamic stability of hydrated iodine compounds in the reactor coolant system and in the nuclear containment building of a pressurised water reactor during a severe accident. It can be concluded that iodine complexes are thermodynamically unstable by means of positive Gibbs free energies and would be represented by trace level concentrations in severe accident conditions; thus it is well justified to only consider pure iodine species and not hydrated forms.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Nuclear Materials - Volume 446, Issues 1â3, March 2014, Pages 73-80
Journal: Journal of Nuclear Materials - Volume 446, Issues 1â3, March 2014, Pages 73-80
نویسندگان
Mária Sudolská, Laurent Cantrel, Å imon Budzák, Ivan ÄernuÅ¡ák,