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

Conference paper (2017)

Authors

T. Becker Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
M. Wang Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
C.A. Infante Ferreira Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
T.J.H. Vlugt Engineering Thermodynamics - Mechanical, Maritime and Materials Engineering
Research Group
Engineering Thermodynamics (Mechanical, Maritime and Materials Engineering) (TU Delft)
Copyright: © 2017 Abhishek Kabra, T. Becker, M. Wang, C.A. Infante Ferreira, T.J.H. Vlugt
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Published Date

2017

Language

English

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Faculty

Mechanical, Maritime and Materials Engineering

Department

Process and Energy

Research Group

Engineering Thermodynamics

Abstract

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.

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