Ionic Liquid Development for Absorption Heat Pump Applications
Abstract
Ionic liquids (ILs) are a unique class of solvents with many potential applications, including absorption heating/cooling. Due to the large number of possible combinations of cations and anions, it is possible to tune the IL to obtain the required properties for the application of interest. Many ILs are very hydrophilic, while even the most hydrophobic ILs often absorb significant amounts of water. The presence of water in an IL can have a large effect on the system properties. For instance, a small amount of dissolved water often leads to a dramatic reduction in the viscosity of the mixture. Dissolved water also affects the ionic conductivity of ILs and alters the solvation power of ILs for both polar and non-polar solutes. Knowledge of the phase diagram of these IL/water mixtures therefore is essential when designing absorption heating systems. Measuring isotherms often requires time consuming and/or expensive experiments, and does not necessarily lead to a deeper understanding of the molecular level interactions responsible for water-IL interactions. In contrast, molecular simulations are relatively inexpensive to perform, allowing one to screen potential ILs for a given application. Simulation also provides a detailed picture of how water and a given IL interact, thereby providing insightmore »
- Authors:
-
- University of Notre Dame, IN
- Ionic Research Technologies LLC
- ORNL
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Building Technologies Research and Integration Center (BTRIC)
- Sponsoring Org.:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- OSTI Identifier:
- 1150905
- DOE Contract Number:
- DE-AC05-00OR22725
- Resource Type:
- Conference
- Resource Relation:
- Conference: International Sorption Heat Pump Conference, Washington, DC, USA, 20140331, 20140403
- Country of Publication:
- United States
- Language:
- English
- Subject:
- Ionic Liquid; Absorption; Molecular Dynamics
Citation Formats
MAERZKE, Katie, MOZURKEWICH, George, Abdelaziz, Omar, Gluesenkamp, Kyle R, Schneider, William F, Morrison, Doug, and Maginn, Prof. Edward. Ionic Liquid Development for Absorption Heat Pump Applications. United States: N. p., 2014.
Web.
MAERZKE, Katie, MOZURKEWICH, George, Abdelaziz, Omar, Gluesenkamp, Kyle R, Schneider, William F, Morrison, Doug, & Maginn, Prof. Edward. Ionic Liquid Development for Absorption Heat Pump Applications. United States.
MAERZKE, Katie, MOZURKEWICH, George, Abdelaziz, Omar, Gluesenkamp, Kyle R, Schneider, William F, Morrison, Doug, and Maginn, Prof. Edward. 2014.
"Ionic Liquid Development for Absorption Heat Pump Applications". United States.
@article{osti_1150905,
title = {Ionic Liquid Development for Absorption Heat Pump Applications},
author = {MAERZKE, Katie and MOZURKEWICH, George and Abdelaziz, Omar and Gluesenkamp, Kyle R and Schneider, William F and Morrison, Doug and Maginn, Prof. Edward},
abstractNote = {Ionic liquids (ILs) are a unique class of solvents with many potential applications, including absorption heating/cooling. Due to the large number of possible combinations of cations and anions, it is possible to tune the IL to obtain the required properties for the application of interest. Many ILs are very hydrophilic, while even the most hydrophobic ILs often absorb significant amounts of water. The presence of water in an IL can have a large effect on the system properties. For instance, a small amount of dissolved water often leads to a dramatic reduction in the viscosity of the mixture. Dissolved water also affects the ionic conductivity of ILs and alters the solvation power of ILs for both polar and non-polar solutes. Knowledge of the phase diagram of these IL/water mixtures therefore is essential when designing absorption heating systems. Measuring isotherms often requires time consuming and/or expensive experiments, and does not necessarily lead to a deeper understanding of the molecular level interactions responsible for water-IL interactions. In contrast, molecular simulations are relatively inexpensive to perform, allowing one to screen potential ILs for a given application. Simulation also provides a detailed picture of how water and a given IL interact, thereby providing insight into ways of designing an IL to have a desired water solubility. Toward this end, atomistic-level Monte Carlo (MC) simulations have been performed to predict isotherms for a variety of IL/water mixtures. The simulations predict that exchanging some of the IL cations with a small metal cation can lead to an increase in the hydrophilicity of the IL, which impacts the capacity of the fluid and the enthalpy of mixing. Molecular dynamics simulations, which unlike Monte Carlo simulations capture timedependent properties, were also carried out to estimate the relative viscosities of the solutions.},
doi = {},
url = {https://www.osti.gov/biblio/1150905},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jan 01 00:00:00 EST 2014},
month = {Wed Jan 01 00:00:00 EST 2014}
}