Molecular Thermodynamic Modeling for Micelle-Mediated Separation of Biocomponents

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Molecular Thermodynamic Modeling for Micelle-Mediated Separation of Biocomponents. / Сафонова, Евгения Алексеевна ; Яковлева, Екатерина Алексеевна; Добряков, Юрий Геннадьевич; Викторов, Алексей Исмаилович.

In: Journal of Industrial and Engineering Chemistry, Vol. 61, No. 42, 26.10.2022, p. 15567-15575.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{24c1af44332b4b5188d859c689956f04,

title = "Molecular Thermodynamic Modeling for Micelle-Mediated Separation of Biocomponents",

abstract = "Micelle-mediated separations provide gentle techniques that prevent molecules of the target biocomponent from decomposition or chemical change. In this work, we briefly discuss different molecular-thermodynamic tools for describing the partitioning of a biocomponent between the micellar aggregates and the surrounding solution, highlighting their advantages and limitations. We then focus on a recently proposed modification of the classical molecular-thermodynamic aggregation model that takes into account complex interactions within the micellar corona, including the hydrogen bonding with the hydration water. Taking n-octanol as a model biocomponent, we apply that model to describe the aggregation behavior and partitioning of octanol in solutions of nonionic surfactant Triton X-114 with added micelle-forming ionic liquid 1-methyl-3-octylimidazolium chloride. For this mixture, we report new experimental data on the cloud-point temperatures and partition coefficients of n-octanol. The data on octanol partitioning are used to test predictions from the model.",

author = "Сафонова, {Евгения Алексеевна} and Яковлева, {Екатерина Алексеевна} and Добряков, {Юрий Геннадьевич} and Викторов, {Алексей Исмаилович}",

year = "2022",

month = oct,

day = "26",

doi = "10.1021/acs.iecr.2c01589",

language = "English",

volume = "61",

pages = "15567--15575",

journal = "Journal of Industrial and Engineering Chemistry",

issn = "1226-086X",

publisher = "Korean Society of Industrial Engineering Chemistry",

number = "42",

}

RIS

TY - JOUR

T1 - Molecular Thermodynamic Modeling for Micelle-Mediated Separation of Biocomponents

AU - Сафонова, Евгения Алексеевна

AU - Яковлева, Екатерина Алексеевна

AU - Добряков, Юрий Геннадьевич

AU - Викторов, Алексей Исмаилович

PY - 2022/10/26

Y1 - 2022/10/26

N2 - Micelle-mediated separations provide gentle techniques that prevent molecules of the target biocomponent from decomposition or chemical change. In this work, we briefly discuss different molecular-thermodynamic tools for describing the partitioning of a biocomponent between the micellar aggregates and the surrounding solution, highlighting their advantages and limitations. We then focus on a recently proposed modification of the classical molecular-thermodynamic aggregation model that takes into account complex interactions within the micellar corona, including the hydrogen bonding with the hydration water. Taking n-octanol as a model biocomponent, we apply that model to describe the aggregation behavior and partitioning of octanol in solutions of nonionic surfactant Triton X-114 with added micelle-forming ionic liquid 1-methyl-3-octylimidazolium chloride. For this mixture, we report new experimental data on the cloud-point temperatures and partition coefficients of n-octanol. The data on octanol partitioning are used to test predictions from the model.

AB - Micelle-mediated separations provide gentle techniques that prevent molecules of the target biocomponent from decomposition or chemical change. In this work, we briefly discuss different molecular-thermodynamic tools for describing the partitioning of a biocomponent between the micellar aggregates and the surrounding solution, highlighting their advantages and limitations. We then focus on a recently proposed modification of the classical molecular-thermodynamic aggregation model that takes into account complex interactions within the micellar corona, including the hydrogen bonding with the hydration water. Taking n-octanol as a model biocomponent, we apply that model to describe the aggregation behavior and partitioning of octanol in solutions of nonionic surfactant Triton X-114 with added micelle-forming ionic liquid 1-methyl-3-octylimidazolium chloride. For this mixture, we report new experimental data on the cloud-point temperatures and partition coefficients of n-octanol. The data on octanol partitioning are used to test predictions from the model.

UR - http://www.scopus.com/inward/record.url?scp=85136748179&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/5bad59dc-7202-3163-991e-d7ca70ad65f1/

U2 - 10.1021/acs.iecr.2c01589

DO - 10.1021/acs.iecr.2c01589

M3 - Article

VL - 61

SP - 15567

EP - 15575

JO - Journal of Industrial and Engineering Chemistry

JF - Journal of Industrial and Engineering Chemistry

SN - 1226-086X

IS - 42

ER -

ID: 98578540