Journal
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Volume 48, Issue 4, Pages 2290-2296Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ie801268a
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- Albert-Ludwigs-Universitat Freiburg
- DFG [SPP 1191]
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We present a fast and reliable general estimation of the heat capacity, C-p, and temperature-dependent density, rho, of ionic liquids, based on a new in silico method to calculate the molecular volume, V-m. The knowledge of Vm allows the prediction of many physical properties of hitherto unknown ionic liquids as. well as the prediction of lattice energies and entropies of salts.
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