Molecular simulation of NH₃/ionic liquid mixtures for absorption heat pump cycles

Molecular simulation of NH₃/ionic liquid mixtures for absorption heat pump cycles

Kabra, Abhishek
Becker, T. (TU Delft Engineering Thermodynamics)
Wang, M. (TU Delft Engineering Thermodynamics)
Infante Ferreira, C.A. (TU Delft Engineering Thermodynamics)
Vlugt, T.J.H. (TU Delft Engineering Thermodynamics)

2017

Force Field based Monte Carlo (MC) simulations are conducted to predict the performance of an absorption heat pump cycle involving NH3/ionic liquid (IL) (refrigerant/absorbent) as working pair. To investigate the thermodynamic performance of the cycle, various properties such as the enthalpy of absorption, heat capacity, and solubility of refrigerant in the absorbent are required. As an alternative to experiments, MC simulations are used to predict the required properties. The simulations are performed at temperatures ranging from 303 K to 373 K and pressures ranging from 4 to 16 bar. The thermodynamic performance parameters such as the coefficient of performance, COP, and the circulation ratio, f, of NH3 paired with [emim][Tf2N] are investigated using MC simulations and compared to results obtained from correlated experimental data, showing a reasonable agreement. MC simulations could be used as an inexpensive alternative for preliminary design considerations involving potential working pairs for absorption heat pump cycles in the absence of available experimental data.

Working pair
Absorption cycle
Monte Carlo simulations
Heat pump
Ionic liquids
NH3

http://resolver.tudelft.nl/uuid:d6c5fb1c-5932-4730-93b4-51bd877f16c6

Stichting HPC 2017

978-90-9030412-0

Proceedings 12th IEA Heat Pump Conference

12th IEA Heat Pump Conference, 2017-05-15 → 2017-05-18, Rotterdam, Netherlands

Institutional Repository

conference paper

© 2017 Abhishek Kabra, T. Becker, M. Wang, C.A. Infante Ferreira, T.J.H. Vlugt