معادله‌ای نیمه تجربی برای تعیین کشش سطحی مایعات یونی بر پایه ایمیدازولیم
محورهای موضوعی : سینتیک و ترمودینامیک
1 - گروه شیمی، واحد مرودشت، دانشگاه آزاد اسلامی، مرودشت، ایران
کلید واژه: مایعات یونی, تابع پتانسیل, فشار درونی, کشش سطحی.,
چکیده مقاله :
در این پژوهش، با استفاده از استدلال‌ها و مدل‌های ترمودینامیکی مناسب یک معادله نیمه تجربی برای محاسبه کشش سطحی مایعات یونی بر پایه ایمیدازولیوم به دست آمد. در روش به کار رفته ابتدا، تابع پتانسیل استوک‌مایر برای توصیف برهم‌کنش بین ذرات انتخاب شد و از این تابع، یک رایطۀ ترمودینامیکی همدما استخراج شد. با استفاده از داده‌های تجربی pVT ، پارامترهای معادله ترمودینامیکی و ثابت‌های تابع پتانسیل بدست آمد. از این ثابت‌ها برای تخمین فشار داخلی و تابع همبستگی جفتی سیستم‌های مورد مطالعه استفاده شد. سپس با استفاده از فشار درونی و اعمال برخی ادله و تقریب‌های ترمودینامیکی، کشش سطحی از معادله کرکوود و باف محاسبه شد. داده‌های pVTتجربی مایعات یونی، در محدودۀ دمایی وسیع، از منابع موجود استخراج شد. مقادیر کشش سطحی‌های محاسبه شده با این روش با مقادیر گزارش شده در سایر منابع مطابقت خوبی دارند و روند تغییرات آنها با دما نیز با روند داده‌های تجربی هماهنگ است.
In this research, using appropriate thermodynamic arguments and models, a semi-empirical equation was obtained to calculate the surface tension of imidazolium-based ionic liquids. In the first method used, the Stockmayer potential model was chosen to describe the interaction between particles, and an isothermal thermodynamic equation was extracted from this equation. Using the experimental data of pVT, the parameters of the thermodynamic equation and potential function were obtained. These parameters were used to estimate the internal pressure and pair correlation function of the studied systems. Then, using the internal pressure and applying some thermodynamic arguments and approximations, the surface tension was calculated from the Kirkwood and Buff equation. Experimental pVT data of ionic liquids, in a wide temperature range, were extracted from available sources. The values of surface tension calculated by this method are in good agreement with the reported values, and the trend of their changes with temperature is also consistent with the trend of experimental data.
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