Atomistic simulation of the absorption of carbon dioxide and water in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([hmim][T[f.sub.2]N]

Article Abstract:

Atomistic Monte Carlo simulations are used to study the solubility of water and carbon dioxide in the ionic liquid 1-n-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([hmim][T[f.sub.2]N]. Analysis of C[O.sub.2]/ionic liquid mixture shows that at high concentrations of C[O.sub.2], the alkyl chain gets extended as the cation-anion separation distance increases.

Industrial Gas Manufacturing, Industrial gases, Carbon Dioxide

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Monte Carlo simulations of gas solubility in the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate

Article Abstract:

The test particle insertion method and expanded ensemble approach are used to compute the Henry's constants of water, ethane, carbon dioxide, ethane, methane, oxygen and nitrogen in [bmim][PF6]. The methods are found to indicate higher solubility than that measured in experiments for most of the gases.

Phosphates

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Anion effects on gas solubility in ionic liquids

Article Abstract:

A report on the solubilities of a variety of gases in several different ionic liquids is presented. It is concluded that the nature of the anion has the most significant influence on the gas solubilities.

Industrial Organic Chemicals, Cyclic Crude and Intermediate Manufacturing, Imidazole, Electric properties, Anions

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