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High-pressure phase equilibria for the synthesis of ionic liquids in compressed CO2 for 1-hexyl-3-methylimidazolium bromide with 1-bromohexane and 1-methylimidazole Export

The Journal of Supercritical Fluids, Vol. 51, No. 1. (21 November 2009), pp. 1-9.

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behavior eos global highpressure multicomponent pengrobinson phase rtil

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The use of carbon dioxide in the synthesis of ionic liquids (ILs) has many advantages over conventional solvents. Here, the high-pressure phase equilibria (including CO 2 solubility, volume expansion, and mixture critical points) are measured and modeled for the system involved in the synthesis of a model imidazolium ionic liquid 1-hexyl-3-methylimidazolium bromide ([HMIm][Br]) from 1-bromohexane and 1-methylimidazole. The global phase behavior of 1-methylimidazole was investigated and found to be a Type V system (or potentially IV) from the classification of Scott and van Konynenburg with regions of vapor-liquid equilibrium, vapor-liquid-liquid equilibrium, liquid-liquid equilibrium, an upper and lower critical endpoint and mixture critical points. The solubility and volume expansion of CO 2 in 1-methylimidazole, 1-bromohexane, a 1:1 mixture of 1-methylimidazole and 1-bromohexane and [HMIm][Br] was determined at 313.15 K and 333.15 K for pressures ranging from 10-160 bar. The solubility of CO 2 and the volume expansion increases in the order of [HMIm][Br]<<1-methylimidazole<1:1 mixture of reactants<1-bromohexane. The Peng-Robinson equation of state with van der Waals 2-parameter mixing rules was used with estimated critical properties to well correlate the vapor-liquid equilibrium. The results have important ramifications on the kinetics and process constraints of an actual IL synthesis with CO 2 .


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