TY - JOUR

T1 - Mixed aqueous solutions of nonionic surfactants Brij 35/Triton X-100: Micellar properties, solutes' partitioning from micellar liquid chromatography and modelling with COSMOmic

AU - Koneva, A.S.

AU - Ritter, Eric

AU - Anufrikov, Yuri A.

AU - Lezov, A.A.

AU - Klestova, A.O.

AU - Smirnova, N.A.

AU - Safonova, E.A.

AU - Smirnova, Irina

N1 - Publisher Copyright: © 2017 Elsevier B.V. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.

PY - 2018/2/5

Y1 - 2018/2/5

N2 - Aqueous solutions of nonionic surfactants are of interest for bioprocesses, particularly as solubilizing agents for hydrophobic substances. To design such processes, the data on partition coefficients of solutes between micelles and their aqueous surrounding (P mw) are of high value. An extended understanding of the partition behavior can be achieved from the structural information such as the micelle size and micelles composition. In this work, mixtures of nonionic surfactants Triton X-100 and Brij 35 were under study. The data on critical micelle concentrations showed partly non-ideal behavior of the solutions. The compositions of mixed micelles at different molar Brij 35/Triton X-100 ratios in the surfactant mixture were estimated from the data on self-diffusion coefficients (NMR diffusometry) and were calculated within the regular solution approach and predicted by Motomura's model. The change of the mixed micelle composition in dependence on the total surfactant concentration was observed. It has been found, that the average value of the mixed micelles radii is ∼4 nm. Whereas, the polydispersity indexes and the aggregation numbers increased with Triton X-100 fraction. Moreover, the P mw values of different non-dissociated solutes (phenyl derivatives with various functional groups) were determined by means of micellar liquid chromatography (MLC) and were predicted using the thermodynamic model COSMOmic, an extension of COSMO-RS. In general, it has been proved that COSMOmic is able to predict P mw in the mixed micellar system formed by nonionic surfactants. The obtained data show the possibility of modulating the partition behavior of solutes using the mixtures of nonionic surfactants. Apart from the hydrophobicity, the «surfactants – solute» specific interactions play an important role in the partition behavior of the investigated systems.

AB - Aqueous solutions of nonionic surfactants are of interest for bioprocesses, particularly as solubilizing agents for hydrophobic substances. To design such processes, the data on partition coefficients of solutes between micelles and their aqueous surrounding (P mw) are of high value. An extended understanding of the partition behavior can be achieved from the structural information such as the micelle size and micelles composition. In this work, mixtures of nonionic surfactants Triton X-100 and Brij 35 were under study. The data on critical micelle concentrations showed partly non-ideal behavior of the solutions. The compositions of mixed micelles at different molar Brij 35/Triton X-100 ratios in the surfactant mixture were estimated from the data on self-diffusion coefficients (NMR diffusometry) and were calculated within the regular solution approach and predicted by Motomura's model. The change of the mixed micelle composition in dependence on the total surfactant concentration was observed. It has been found, that the average value of the mixed micelles radii is ∼4 nm. Whereas, the polydispersity indexes and the aggregation numbers increased with Triton X-100 fraction. Moreover, the P mw values of different non-dissociated solutes (phenyl derivatives with various functional groups) were determined by means of micellar liquid chromatography (MLC) and were predicted using the thermodynamic model COSMOmic, an extension of COSMO-RS. In general, it has been proved that COSMOmic is able to predict P mw in the mixed micellar system formed by nonionic surfactants. The obtained data show the possibility of modulating the partition behavior of solutes using the mixtures of nonionic surfactants. Apart from the hydrophobicity, the «surfactants – solute» specific interactions play an important role in the partition behavior of the investigated systems.

KW - Chromatography

KW - Critical micelle concentration

KW - Diffusion in liquids

KW - Hydrophobicity

KW - Liquid chromatography

KW - Micelles

KW - Mixtures

KW - Solutions

KW - Surface active agents, Micellar liquid chromatography

KW - Mixed micellar system

KW - Mixed surfactant systems

KW - Partition coefficient

KW - Polydispersity indices

KW - Self-diffusion coefficients

KW - Structural information

KW - Surfactant concentrations, Nonionic surfactants, functional group

KW - polidocanol

KW - solubilizer

KW - triton x 100, aqueous solution

KW - Article

KW - bioprocess

KW - chemical interaction

KW - concentration (parameters)

KW - dispersity

KW - hydrophobicity

KW - micellar liquid chromatography

KW - micelle

KW - nuclear magnetic resonance

KW - particle size

KW - partition coefficient

KW - priority journal

KW - solute

KW - thermodynamics

KW - COSMOmic modelling

KW - Nonionic surfactant

KW - Micelles composition

KW - COMPETITIVE SOLUBILIZATION

KW - COEFFICIENTS

KW - CLOUD-POINT EXTRACTION

KW - MOLECULAR-DYNAMICS SIMULATIONS

KW - SELF-DIFFUSION

KW - CETYLTRIMETHYLAMMONIUM BROMIDE

KW - AROMATIC-HYDROCARBONS

KW - SODIUM DODECYL-SULFATE

KW - TRITON X-100

KW - GENERAL FORCE-FIELD

UR - http://www.scopus.com/inward/record.url?scp=85032674193&partnerID=8YFLogxK

UR - http://www.mendeley.com/research/mixed-aqueous-solutions-nonionic-surfactants-brij-35triton-x100-micellar-properties-solutes-partitio

U2 - 10.1016/j.colsurfa.2017.10.044

DO - 10.1016/j.colsurfa.2017.10.044

M3 - статья

VL - 538

SP - 45

EP - 55

JO - Colloids and Surfaces A: Physicochemical and Engineering Aspects

JF - Colloids and Surfaces A: Physicochemical and Engineering Aspects

SN - 0927-7757

ER -