شیمى کاربردى روز

شیمى کاربردى روز

استخراج کارآمد اسید بوتیریک از محلول آبی به کمک n-دودکان: اندازه گیری داده‌های تعادلی و مدل‌سازی ترمودینامیکی

نوع مقاله : مقاله علمی پژوهشی

نویسندگان
دانشکده شیمی، دانشگاه گیلان، رشت، ایران
چکیده
در این تحقیق، داده‌های تعادل‌ مایع-مایع سیستم ‌سه‌تایی (آب + اسید بوتیریک + n-دودکان) در دمای 2/298 کلوین و فشار 3/101 کیلوپاسکال به دست آمدند. نمودار فاز سه‎تایی با استفاده از داده‌های خطوط گره به‌دست آمده از عیارسنجی‌های اسید-باز و کارل فیشر رسم شد. معادله‌های هند و اوتمر-توبیاس برای بررسی همبستگی داده‌های خطوط گره مورد استفاده قرار گرفتند. ضرایب برازش بدست آمده (997/0 برای هر دو معادله) نشان دادند که خطوط گره قابل اعتماد هستند. ضرایب توزیع و فاکتورهای انتخاب‌گری در منطقه دو فازی به ترتیب در بازه‌های 88/1 تا 14/2 و 78/343 تا 44/122به دست آمدند. مقادیر به‌دست‌آمده برای این دو پارامتر نشان داد که n-دودکان برای خارج کردن اسید بوتیریک از فاز آبی حلالی با کارایی بالا محسوب می‌شود. برای مدل سازی ترمودینامیکی داده‌های تجربی از معادلهNRTL استفاده شد. برهمکنش‌های دوتایی به‌دست‌آمده پس از اعتبار سنجی داده‌ها موردبررسی قرار گرفت. کیفیت مدل‌سازی با استفاده از محاسبه جذر میانگین مربع انحرافات (rmsd) موردبررسی قرار گرفت. مقدار به‌دست‌آمده برای آن (11/1 درصد) نشان داد که مدل‌سازی به‌خوبی انجام‌شده است.
کلیدواژه‌ها
موضوعات

عنوان مقاله English

Efficient Extraction of Butyric Acid from Aqueous Solution using n-Dodecane: Measurement of Equilibrium Data and Thermodynamic Modeling

نویسندگان English

Samaneh Parvaneh
Sina Shekarsaraee
Faculty of Chemistry, Gilan University, Rasht, Iran
چکیده English

In this research, the liquid-liquid equilibrium data of the ternary system (water + n-butyric acid + n-dodecane) were obtained at a temperature of 298.2 K and a pressure of 101.3 kPa. The ternary phase diagram was drawn using data of tie-lines obtained from acid-base and Karl Fischer titrations. Hand and Othmer-Tobias equations were used to check the correlation of data of tie-lines. The obtained fit coefficients (0.997 for both equations) showed that the tie-lines are reliable. The distribution coefficients and selectivity factors in the two-phase region were obtained in the ranges of 1.88 to 2.14 and 343.78 to 122.44, respectively. The values obtained for these two parameters showed that n-dodecane is a high-efficiency solvent for removing butyric acid from the aqueous phase. NRTL equation was used for thermodynamic modeling of experimental data. The obtained binary interactions were examined after validating the data. The quality of the modeling was evaluated by calculating the root mean square deviations (rmsd). The value obtained for it (1.11%) showed that the modeling was done well.

کلیدواژه‌ها English

Butyric Acid
Liquid-Liquid Equilibrium
Ternary System
NRTL Thermodynamic Model
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