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- W2953006948 endingPage "828" @default.
- W2953006948 startingPage "828" @default.
- W2953006948 abstract "The default COSMO-RS (Conductor like Screening Model for Real Solvents) approach is incapable of accurate computation of C60 solubility in net solvents. Additionally, there is no adequate selection of single or multiple reference solvent, which can be applied to the whole population of 180 solvents for improving prediction of mole fraction at saturated conditions. This failure cannot be addressed to inaccurate data of the Buckminster fusion, although they pose a challenge for experimental measurement due to intense sublimation of C60 at elevated temperatures and the possibility of solvates precipitation. However, taking advantage of the richness of experimental data of fullerene solubility, it is possible to identify the source of errors expressed in terms of fluidization affinity. Classification of solvents according to the value of this fluidization term allowed for formulation of a consonance solvents approach, which enables accurate prediction of C60 solubility using the single reference solvent method." @default.
- W2953006948 created "2019-06-27" @default.
- W2953006948 creator A5069739902 @default.
- W2953006948 date "2019-06-22" @default.
- W2953006948 modified "2023-10-03" @default.
- W2953006948 title "Application of the Consonance Solvent Concept for Accurate Prediction of Buckminster Solubility in 180 Net Solvents using COSMO-RS Approach" @default.
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- W2953006948 doi "https://doi.org/10.3390/sym11060828" @default.
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