ie501575n_si_001.pdf (954.15 kB)
Contribution of the Individual Ions to the Heat Capacity of Ionic Liquids
journal contribution
posted on 2014-06-25, 00:00 authored by Karsten Müller, Johannes AlbertHeat
capacity is a crucial parameter for process design. Ionic
liquids (ILs) offer the opportunity to tailor the relevant properties
for many processes, but heat capacity data often are not available.
In this work, temperature-dependent contributions to the heat capacity
for 39 cations and 32 anions are proposed. A database containing 104
ILs with 2443 data points was used for the development of this model.
The experimental data in the test set could be reproduced with a mean
relative error of 4.4%. This allows for a systematic screening of
a huge IL database to determine the solvent best-suited for a task
without the necessity to measure all the missing data. Furthermore,
an optimization taking different substance properties into account
by using respective mathematical tools is possible by combination
with prediction models for other properties.