期刊
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
卷 48, 期 4, 页码 2290-2296出版社
AMER CHEMICAL SOC
DOI: 10.1021/ie801268a
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资金
- Albert-Ludwigs-Universitat Freiburg
- DFG [SPP 1191]
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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