Designing new mass-separating agents based on piperazine-containing good's buffers for separation of propanols and water azeotropic mixtures using COSMO-RS method

authors	Taha, M
nationality	International
journal	FLUID PHASE EQUILIBRIA
author keywords	COSMO-RS; Good's buffers; Isobaric vapor-liquid equilibrium; Propanols; Azeotropes
keywords	VAPOR-LIQUID-EQUILIBRIUM; INDUCED PHASE-SEPARATION; IONIC LIQUIDS; PLUS WATER; AQUEOUS 1,4-DIOXANE; CALCIUM-CHLORIDE; SALT SYSTEMS; EPPS BUFFER; 298.15 K; PREDICTION
abstract	The isobaric vapor-liquid equilibria of the binary 1-propanol + water, 2-propanol + water, and 2-methyl-2-propanol (tert-butanol) + water systems were predicted using the conductor-like screening model for realistic solvation (COSMO-RS) method. The phase behavior of the 1-propano1/2-propanol/tert-butanol water + piperazine-based Good's buffer systems were predicted. The effect of piperazine-containing Good's buffers, 2-[4-(2-hydroxyethyl)piperazin-1-yl]alkanesulfonic acid, as mass-separating agents on the separation of proponals from water were discussed. The influence of alkyl chain length between the zwitterion end groups, R = methyl, ethyl, propyl, butyl, pentyl, hexyl, heptyl, octyl, nonyl, and decyl was evaluated. Further, the effect of 4-(2-hydroxyethyl)piperazine-1-(2-hydroxypropane sulfonic acid) was also evaluated. Piperazine-based Good's buffers are expected to be effective mass separating agents to have practical application in the separation of propanol from water. (C) 2016 Elsevier B.V. All rights reserved.
publisher	ELSEVIER SCIENCE BV
issn	0378-3812
year published	2016
volume	425
beginning page	40
ending page	46
digital object identifier (doi)	10.1016/j.fluid.2016.05.011
web of science category	Thermodynamics; Chemistry, Physical; Engineering, Chemical
subject category	Thermodynamics; Chemistry; Engineering
unique article identifier	WOS:000382341700006