Determination of the glass transition temperature of ionic liquids: A molecular approach

An enhanced group-interaction contribution method for the prediction of glass transition temperature of ionic liquids

“…To cover various types of ionic liquids, another group contribution method was suggested by Gharagheizi et al [22], demonstrating good agreement with the experimental data of 496 ILs as the AARD was calculated as 3.65%. Predictions by the QSPR model proposed by Mirkhani et al [23] were also generally consistent (AARD ¼ 3.84%) with literature data associated with 139 ILs. Recently, Yan et al [28] proposed a new approach of QSPR for Tg prediction which, contrary to all the above similar methods, takes into account anion-cation interactions.…”

“…Experimental methods for glass transition temperature (T g ) measurements include differential scanning calorimetry, coldstorage polarizing microscopy, X-ray scattering and Nuclear Magnetic Raman [23]. In relation to ionic liquids, the quasi-entirety of experimental data reported in the literature for glass transition temperature has been obtained by means of differential scanning calorimetry and differential thermal analysis (DSC/DTA).…”

Predicting the glass transition temperature of ionic liquids by the quantitative structure property relationship method using a topological index

“…The AARD in this work (3.32%) is smaller than that in the work of Gharagheizi (3.65%) [18], Mirkhani (3.84%) [19], and Lazzús (5%) [20]. The QSPR model in this work is more accurate than those three models above.…”

“…Gharagheizi et al [18] developed a group contribution method for the estimation of the glass transition temperature of 496 ILs (R 2 -0.873, AARD-3.65%). Mirkhani et al [19] estimated the glass transition temperature of 139 ILs by QSPR method (R 2 -0.890, AARD-3.84%).…”

Predicting the thermal responses and radiopacity of multicomponent zinc–silicate bioglasses: A focus on ZnO, La2O3, SiO2 and TiO2

“…Low standard deviations were observed for the developed mixture regression models and verified via the F-Test. F is the F-ratio which is defined as the ratio between the model summation of squares (MSS) and the residual summation of squares (RSS) [27]:…”