TY  - JOUR
AV  - none
TI  - Screening of ionic liquids as green entrainers for ethanol water separation by extractive distillation: COSMO-RS prediction and aspen plus simulation
ID  - scholars19460
KW  - Chlorine compounds; Computer software; Cost reduction; Design; Distillation; Distillation columns; Ethanol; Ethylene; Ethylene glycol; Greenhouse gases; Hydrogen bonds; Mixtures; Operating costs; Polyols; Process design; Retrofitting
KW  -  ASPEN PLUS; Azeotropic mixture; Conductor-like screening model for real solvents; Entrainer; Ethanol-water separation; Extractive distillation; Green entrainer; Process simulations; Retrofit design; Tetramethylammonium chloride
KW  -  Ionic liquids
KW  -  alcohol; anion; cation; cosmo rs; ethylene glycol; ionic liquid; quaternary ammonium derivative; solvent; tetramethylammonium chloride; unclassified drug; water
KW  -  chemical compound; distillation; ionic liquid; separation; simulation; solvent
KW  -  Article; carbon dioxide emission; cost control; density functional theory; distillation; energy cost; extractive distillation; factory; greenhouse gas emission; heat; hydrogen bond; molecular interaction; pressure; process model; sensitivity analysis; temperature
N2  - Ionic liquids (ILs) have been demonstrated as promising alternatives to conventional entrainers in separation of azeotropic mixtures mostly investigating phase equilibrium and process design scenarios. However, proper selection of ILs for a specific task always remains challenging. Hence a simulation tool, i.e. conductor like screening model for real solvents (COSMO-RS) was applied to address this challenge. Furthermore, screened ILs were simulated as entrainers for ethanol water separation by extractive distillation. The current study also aims to demonstrate a systematic approach to retrofit existing processes, by employing ILs as green entrainers. Screening of twenty-five (25) ILs was carried out using COSMO-RS to select suitable ILs as green entrainers based on activity coefficient, capacity and selectivity. Results illustrated that tetramethylammonium chloride (TMAmCl) due to its strong hydrogen bonding ability was found to be the best ILs entrainer. Moreover, in order to reduce the operating costs without compromising desired product purity (ethanol purity �99.5% in top product), the selected ILs (8 kg/h) in a mixture with ethylene glycol (72 kg/h) were simulated using Aspen plus v.11. The simulation results revealed that by combining tetramethylammonium chloride (2 kg/h) with ethylene glycol (78 kg/h) reduced 7.26 tons of CO2 emissions/year through heat integration by saving 1.49*108 kJ/year energy besides minimizing operating costs. In conclusion, the systematic selection of ILs as green entrainers in combination with ethylene glycol and then the appropriate simulation of the whole system will ultimately reduce the cost of the separation process and reduce the emission of greenhouse gases as well utilization of toxic conventional entrainers. © 2022
N1  - cited By 23
Y1  - 2023///
VL  - 311
A1  - Malik, H.
A1  - Khan, H.W.
A1  - Hassan Shah, M.U.
A1  - Ahmad, M.I.
A1  - Khan, I.
A1  - Al-Kahtani, A.A.
A1  - Sillanpää, M.
JF  - Chemosphere
UR  - https://www.scopus.com/inward/record.uri?eid=2-s2.0-85141300795&doi=10.1016%2fj.chemosphere.2022.136901&partnerID=40&md5=84d8c06221328bdbae226edf9a45a085
ER  -