کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8092010 1522004 2013 11 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Absorption of carbon dioxide by ionic liquids with carboxylate anions
ترجمه فارسی عنوان
جذب دی اکسید کربن توسط مایعات یونی با آنیون های کربوکسیلات
کلمات کلیدی
جذب، دی اکسید کربن، مایعات یونی کربوکسیلات، اب، شبیه سازی های مولکولی، مکانیزم حلالیت،
موضوعات مرتبط
مهندسی و علوم پایه علوم زمین و سیارات فرآیندهای سطح زمین
چکیده انگلیسی
Experimental values of the absorption of carbon dioxide in two ionic liquids with carboxylate anions - the 1-butyl-3-methylimidazolium levulinate [C1C4Im][LEV] and the 1-butyl-1-methylpyrrolidinium acetate [C1C4Pyrro][OAc] - are reported as a function of temperature and at pressures close to atmospheric. Mole fraction absorption of carbon dioxide in [C1C4Im][LEV] and [C1C4Pyrro][OAc] is equal to 0.93 × 10−2 and 1.10 × 10−2 at 303.15 K and 89.2 kPa and 353.15 K and 67.1 kPa, respectively. The effect of the presence of controlled amounts of water on the absorption of carbon dioxide was measured for [C1C4Pyrro][OAc]. The presence of a 0.35 mole fraction of water in [C1C4Pyrro][OAc] decreases the viscosity of the ionic liquid phase and dramatically increases the amount of carbon dioxide absorbed, pointing toward a chemical reaction between the gas and the liquid absorbent. Increasing the amounts of water lowers the viscosity further but also the absorption capacity of the ionic liquid. Molecular dynamics simulations were used to interpret the molecular mechanism of solvation of carbon dioxide in [C1C4Pyrro][OAc]. Results show that carbon dioxide is solvated preferentially in the non-polar domain of the solvent, and that the CO2-anion interactions dominate over the CO2-cation interactions. Molecular simulations could reproduce the experimental solubility of CO2 in [C1C4Im][TFA] (known to be a physical process), but not in [C1C4Pyrro][OAc] and reinforcing the conclusion that the higher solubility of carbon dioxide in the acetate based ionic liquid can be ascribed to a chemical reaction.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: International Journal of Greenhouse Gas Control - Volume 17, September 2013, Pages 78-88
نویسندگان
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