A simple group contribution correlation for the prediction of ionic liquid heat capacities at different temperatures was written by Ahmadi, Alireza;Haghbakhsh, Reza;Raeissi, Sona;Hemmati, Vahid. And the article was included in Fluid Phase Equilibria in 2015.Category: imidazoles-derivatives This article mentions the following:
The heat capacities of pure ionic liquids (ILs) are among the thermophys. properties that are required for certain engineering calculations and designs. In this study, a simple correlation is presented for the prediction of the heat capacities of pure ionic liquids This correlation is a temperature-dependent relation that uses temperature, mol. weight and the number of atoms (such as carbon, hydrogen, oxygen, nitrogen, etc.) in the structure of the IL as input parameters. A dataset of approx. 128 different ILs, consisting of 4822 data points, was used to develop and validate this general correlation, covering a temperature range from 190 to 663 K. Nearly three-quarters of the data were used for optimization and a quarter for validation. The resulting correlation gives good estimations for heat capacities, while having a number of advantages over previous literatures methods. These advantages include (a) being very simple; (b) not requiring any exptl. data as input parameters; (c) being more global than previous literature models by having been constructed over a larger databank of ionic liquids; (d) being accurate. The average absolute relative deviation (AARD%) was calculated to be 5.8% for the optimization dataset, and 5.6% for the validation dataset. This is smaller than what is obtained for the literature at.-contribution methods proposed by Farahani et al. and Sattari et al., with AARD% values of 14.2% and 6.6%, resp., based on the validation dataset of this study. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Category: imidazoles-derivatives).
3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Category: imidazoles-derivatives
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem