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- W2904117009 abstract "Abstract A computer-aided ionic liquid design (CAILD) study is presented for the frequently encountered alkane/cycloalkane separations in petrochemical industry. Exhaustive experimental data are first collected to extend the UNIFAC-IL model for this system, where the proximity effect in alkanes and cycloalkanes is considered specifically by defining distinct groups. The thermodynamic performances of a large number of ILs for 4 different alkane/cycloalkane systems are then compared to select a representative example of such separations. By applying n-heptane/methylcyclohexane extractive distillation as a case study, the CAILD task is cast as a mixed-integer nonlinear programming (MINLP) problem based on the obtained task-specific UNIFAC-IL model and two semi-empirical models for IL physical properties. The top 5 IL candidates determined by solving the MINLP problem are subsequently introduced into Aspen Plus for process simulation and economic analysis, which finally identify 1-hexadecyl-methylpiperidinium tricyanomethane ([C16MPip][C(CN)3]) as the best entrainer for this separation." @default.
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- W2904117009 date "2019-04-01" @default.
- W2904117009 modified "2023-10-17" @default.
- W2904117009 title "Computer-aided ionic liquid design for alkane/cycloalkane extractive distillation process" @default.
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- W2904117009 doi "https://doi.org/10.1016/j.gee.2018.12.001" @default.
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