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COSMO-RS screening of organic mixtures for membrane extraction of aromatic amines:TOPO-based mixtures as promising solvents
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作者 Gilles Van Eygen Catherine Echezuria +3 位作者 Anita Buekenhoudt João A.P.Coutinho Bart Van der Bruggen Patricia Luis 《Green Chemical Engineering》 2025年第2期263-274,共12页
Aromatic amines are crucial in pharmaceuticals,but their synthesis is challenging due to unfavorable reaction equilibria and the use of costly,environmentally unfriendly methods.This study presents a membrane extracti... Aromatic amines are crucial in pharmaceuticals,but their synthesis is challenging due to unfavorable reaction equilibria and the use of costly,environmentally unfriendly methods.This study presents a membrane extraction(ME)process for in situ product removal(ISPR)of aromatic amines.Using a supported liquid membrane(SLM),α-methylbenzylamine(MBA)and 1-methyl-3-phenylpropylamine(MPPA)were separated from isopropyl amine(IPA).Conductor-like Screening Model for Real Solvents(COSMO-RS)was employed to screen over 200 organic mixtures,identifying twelve mixtures based on trioctylphosphine oxide(TOPO),lidocaine,and menthol as solvent candidates,due to their hydrophobicity.These mixtures were analysed for critical solvent properties including density,viscosity,hydrophobicity,and H-bonding interactions.ME tests showed TOPO-thymol had the highest solvent residual and selectivity.Moreover,TOPO-thymol demonstrated solute fluxes of 9.0±3.0 g/(m^(2)h)for MBA,16.5±5.4 g/(m^(2)h)for MPPA,and 0.7±0.3 g/(m^(2)h)for IPA,with selectivity values of 12.4±0.8 for MBA/IPA and 22.8±1.4 for MPPA/IPA.Compared to undecane,which had lower selectivity values of 6.9±0.8 for MBA/IPA and 10.1±1.3 for MPPA/IPA,TOPO-thymol showed superior selectivity,indicating its promise as an extractant for ME applications. 展开更多
关键词 Aromatic amines Membrane extraction COSMO-RS Supported liquid membranes TOPO-based solvents
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