پیش بینی ویژگی‌های حجمی نانوسیال ها با استفاده از تابع پتانسیل مورس و تصحیح کوانتمی ضریب دوم ویریال به همراه یک معادله حالت مکانیک آماری تعمیم یافته

کیانی برازجانی, معصومه

پیش بینی ویژگی‌های حجمی نانوسیال ها با استفاده از تابع پتانسیل مورس و تصحیح کوانتمی ضریب دوم ویریال به همراه یک معادله حالت مکانیک آماری تعمیم یافته

نوع مقاله : علمی-پژوهشی

نویسنده

معصومه کیانی برازجانی

گروه شیمی، دانشگاه پیام نور، تهران، ایران

چکیده

در این پژوهش تعدادی از ویژگی های ترمودینامیکی نانوذره ها، نانوسیال ها دارای یک سیال پایه و نانوسیال های دارای مخلوط دو سیال پایه در بازه ی فشاری 45-1/0 مگاپاسکال و بازه ی دمایی 363-273 کلوین محاسبه و پیش بینی شدند. نانوذره های مورد بررسی Al₂O₃، CuO، Co₃O₄، SnO₂، TiO₂-Rutile، TiO₂-Anatase و ZnO بوده و سیال‌های پایه نیز شامل آب، اتیلن گلیکول و پلی اتیلن گلیکول (با جرم مولکولی 400) می باشند. معادله حالت مورد استفاده در این کار معادله حالت تائو- میسون است که بر مبنای مکانیک آماری استوار می‌باشد. پارامترهای وابسته به دما در این معادله حالت شامل ضریب دوم ویریال،، و دو پارامتر و می باشد که با توجه به ویژگی های کوانتمی نانوذره ها، از یک قسمت تصحیح کوانتمی برای محاسبه ضریب دوم ویریال استفاده شد. همچنین در محاسبه این سه ضریب نیاز به استفاده از یک تابع پتانسیل می باشد که برای لحاظ کردن اثرهای قطبی مواد از تابع پتانسیل سه پارامتری مورس استفاده شد که نسبت به تابع های پتانسیل‌های دو پارامتری معمول مانند لنارد جونز 6-12 از انعطاف بیش تری برخوردار است.نخست پارامترهای موجود در تابع پتانسیل توسط داده‌های دانسیته در حالت خالص (فشار 1/0 مگاپاسکال) مورد برازش قرار گرفتند و سپس برای حالت مخلوط از همین پارامترها استفاده شد. یک پارامتر دوتایی نیز برای در نظر گرفتن برهمکنش‌های بین دو مولکول متفاوت در سامانه‌های مخلوط برازش شد. در مجموع برای تعداد 1181 داده برای نانوسیال ها میزان میانگین خطای مطلق برابر با 5/0 گزارش شد. طبق نتیجه هایبه دست آمده، این معادله حالت از دقت خوبی برای محاسبه و پیش بینی دانسیته نانوسیال ها برخوردارمی‌باشد.

کلیدواژه‌ها

ویژگی های حجمی

نانوسیال ها

معادله حالت

ضریب دوم ویریال

ویژگی های کوانتومی

موضوعات

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دوره 39، شماره 2 - شماره پیاپی 96
تابستان 1399
صفحه 229-248

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پیش بینی ویژگی‌های حجمی نانوسیال ها با استفاده از تابع پتانسیل مورس و تصحیح کوانتمی ضریب دوم ویریال به همراه یک معادله حالت مکانیک آماری تعمیم یافته

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دوره 39، شماره 2 - شماره پیاپی 96
تابستان 1399
صفحه 229-248