ASPEN plus simulation of liquid–liquid equilibria data for the extraction of aromatics from waste tyre pyrolysis gasoline using organic and deep eutectic solvents: a comparative study

Abstract

Waste tyre pyrolysis gasoline (WTPG) contain significant amount of aromatics such as benzene, toluene and xylenes (BTX) and thus provide a good source for these value-added chemicals. Separation of aromatics from aliphatic media as obtained in WTPG and naphtha is done commercially by solvent extraction using volatile organic solvents such as sulfolane (SUF), dimethylformamide (DMF) and diethylene glycol (DEG). The high cost of this state-of-the art separation method and environmental consideration have necessitated search for non-volatile and green solvent such as deep eutectic solvent (DES). This study intends to conduct a comparative evaluation of the performance of five solvents (SUF, DMF, DEG, and two DESs) for the extraction of BTX from WTPG. The two DESs are choline chloride/ethylene glycol (DES1) and choline chloride/glycerol (DES2) in molar ratios 1:2. An ASPEN plus simulation was carried out to generate liquid–liquid equilibria (LLE) data for the pseudo-ternary systems {WTPG + BTX + solvent (SUF/DMF/DEG/DES)}. Performance evaluation was based on selectivity (S) and solute (BTX) distribution coefficient (D). The propriety of the simulation protocol was validated using literature data. The results revealed the following maximum values of selectivity and distribution coefficients for the solvents: DES2 (S = 378.283, D = 0.656); DES1 (S = 77.364, D = 1.423); SUF (S = 55.371, D = 0.756); DMF (S = 25.336, D = 0.786) and DEG (S = 17.531, D = 0.793). The DESs therefore performed better than the organic solvents and can suitably replace same in the extraction of BTX from waste tyre pyrolysis gasoline.

Covalently Immobilized Nickel Nanoparticles Reinforce Augmentation of Mass Transfer in Millichannels for Two-Phase Flow Systems

“…m is the slope obtained from a regression of C T and C W * (Figure S8A,B), which shows a nearly linear relationship ( C W * = 4.05 × C T ) based on ternary equilibrium data generated at room temperature (26 °C) in the range of the observed concentrations using ASPEN + software, − where C W * is the concentration of acetic acid in water in equilibrium with the bulk concentration of acetic acid in toluene ( C T , solute-free basis) . The value of m , i.e., 4.05 is obtained by plotting C T and C W * , and after linear fitting, the value of slope obtained is m .…”

Evaluation of hybrid solvents featuring choline chloride-based deep eutectic solvents and ethanol as extractants for the liquid–liquid extraction of benzene from n-hexane: towards a green and sustainable paradigm

“…For example, Shekaari et al [ 18 ] reported a maximum selectivity ( S max ) of 52.4197 for DES (choline chloride: diglycolamine, 1:5 molar ratio) as against 47.7704 for sulfolane in the extraction of benzene from n -hexane at 303.15 K. Similarly, Usman et al [ 19 ] reported a high value for selectivity ( S max = 462.00) using glyceline (choline chloride:glycerol, 1:2 molar ratio) as extractant for separating benzene from n -hexane. In a related study using ASPEN simulation, Usman et al [ 20 ] reported higher values of selectivity for glyceline ( S max = 378.283) and ethaline ( S max = 77.364) compared to sulfolane ( S max = 55.371) in the extraction of aromatics (benzene–toluene–xylene) from waste tire pyrolysis gasoline at 303.15 K and 1 atm. Further, using a mixture of glyceline and ethaline in the volume ratio 80:20, respectively, as extractant for separating benzene from n -hexane, Usman et al [ 21 ] reported the selectivity value of 422.485.…”

Liquid–Liquid Equilibrium for Cyclohexane + Benzene + N,N-Dimethylformamide + Potassium Thiocyanate at Temperature 298.15 K and Atmospheric Pressure

“…Modeling was performed using the simulation software AspenPlus (Aspen Technology). The simulations were performed considering a pseudo-component for the DMF/ KSCN mixture so that the pseudo-component parameters (such as the average normal boiling point, density, and molecular weight 31 ) were manually added to the software previously to the regression of experimental data. The pseudocomponent parameters were calculated based on the study by Sarkar et al 32…”