Density Functional Theory Study of Adding Ionic Liquid to Aqueous Ammonia System

Abstract

Aqueous ammonia is a commonly working fluid used in absorption refrigeration cycles, and high energy consumption exists during the working process due to incomplete separation of ammonia and water. To address this problem, several cations and anions are selected to form ionic liquids in this paper. Then these substances are added into the ammonia-water system to form ternary systems. The energy analysis between different particles of new systems is carried out by using the density flooding theory. The results indicate that dimethylimidazolium-dimethylphosphate has a high affinity for water and shows a more obvious potential to promote ammonia to separate from water in the energy calculation, and the theoretically predicted results are also consistent with the experimental data in the literature.