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Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics

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Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics. / Isobe, Noriyuki; Shimizu, Seishi.

In: Cellulose Communications, Vol. 27, No. 3, 07.08.2020, p. 91-95.

Research output: Contribution to journalArticle

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Isobe, N & Shimizu, S 2020, 'Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics', Cellulose Communications, vol. 27, no. 3, pp. 91-95.

APA

Isobe, N., & Shimizu, S. (Accepted/In press). Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics. Cellulose Communications, 27(3), 91-95.

Vancouver

Isobe N, Shimizu S. Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics. Cellulose Communications. 2020 Aug 7;27(3):91-95.

Author

Isobe, Noriyuki ; Shimizu, Seishi. / Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics. In: Cellulose Communications. 2020 ; Vol. 27, No. 3. pp. 91-95.

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@article{73251b3cda374cc89bd75709ee1659dc,
title = "Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics",
abstract = "What drives the LCST-type thermal gelation of water-soluble cellulose derivative, methylcellulose (MC), in seawater was quantified on a molecular scale using statistical thermodynamic fluctuation theory. Quantifying MC-water and MC-salt interactions enabled us to identify the dominant interaction for thermal gelation. The Kirkwood-Buff integrals for intermolecular interactions, calculated from the published calorimetric and volumetric data, showed that 1) the accumulation of salts around MC molecules (favourable interaction between salts and MC) inhibits thermal gelation and the depletion of salts from MC (unfavourable interaction between salts and MC) promotes the gelation, and 2) this salt-MC interaction is the dominant factor (50-100 times stronger than the water-MC interaction).This insight from the fluctuation theory is at odds with the age-old consensus regarding the driving force of thermalgelation: water structure change in the presence of salts induces the promotion or inhibition of thermal gelation",
author = "Noriyuki Isobe and Seishi Shimizu",
year = "2020",
month = aug,
day = "7",
language = "Japanese",
volume = "27",
pages = "91--95",
journal = "Cellulose Communications",
issn = "1342-730X",
number = "3",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - Understanding how water-soluble cellulose derivative behaves in sea-water via statistical thermodynamics

AU - Isobe, Noriyuki

AU - Shimizu, Seishi

PY - 2020/8/7

Y1 - 2020/8/7

N2 - What drives the LCST-type thermal gelation of water-soluble cellulose derivative, methylcellulose (MC), in seawater was quantified on a molecular scale using statistical thermodynamic fluctuation theory. Quantifying MC-water and MC-salt interactions enabled us to identify the dominant interaction for thermal gelation. The Kirkwood-Buff integrals for intermolecular interactions, calculated from the published calorimetric and volumetric data, showed that 1) the accumulation of salts around MC molecules (favourable interaction between salts and MC) inhibits thermal gelation and the depletion of salts from MC (unfavourable interaction between salts and MC) promotes the gelation, and 2) this salt-MC interaction is the dominant factor (50-100 times stronger than the water-MC interaction).This insight from the fluctuation theory is at odds with the age-old consensus regarding the driving force of thermalgelation: water structure change in the presence of salts induces the promotion or inhibition of thermal gelation

AB - What drives the LCST-type thermal gelation of water-soluble cellulose derivative, methylcellulose (MC), in seawater was quantified on a molecular scale using statistical thermodynamic fluctuation theory. Quantifying MC-water and MC-salt interactions enabled us to identify the dominant interaction for thermal gelation. The Kirkwood-Buff integrals for intermolecular interactions, calculated from the published calorimetric and volumetric data, showed that 1) the accumulation of salts around MC molecules (favourable interaction between salts and MC) inhibits thermal gelation and the depletion of salts from MC (unfavourable interaction between salts and MC) promotes the gelation, and 2) this salt-MC interaction is the dominant factor (50-100 times stronger than the water-MC interaction).This insight from the fluctuation theory is at odds with the age-old consensus regarding the driving force of thermalgelation: water structure change in the presence of salts induces the promotion or inhibition of thermal gelation

M3 - Article

VL - 27

SP - 91

EP - 95

JO - Cellulose Communications

JF - Cellulose Communications

SN - 1342-730X

IS - 3

ER -