Physico-chemical properties of C60(OH)22–24 water solutions: Density, viscosity, refraction index, isobaric heat capacity and antioxidant activity

Nikita E. Podolsky, Marco A. Marcos, David Cabaleiro, Konstantin N. Semenov, Luis Lugo, Andrey V. Petrov, Nikolay A. Charykov, Vladimir V. Sharoyko, Timur D. Vlasov, Igor V. Murin

Research output

3 Citations (Scopus)

Abstract

This paper investigates the physico-chemical properties of several polyhydroxylated fullerene (fullerenol, C 60 (OH) 22–24 ) water solutions. The values of densities (ρ), refraction indexes (n D ), isobaric heat capacities (C p ) and viscosities (η) were experimentally determined in the temperature range 278.15–323.15 K and at fullerenol concentrations up to 40 g·dm −3 . For the highest fullerenol concentration (40 g·dm −3 ), density, viscosity and isobaric heat capacity modifications reach 4.5%, 56%, and 3%, respectively. Either temperature, T, and concentration, x, dependences of these physical properties were described by polynomial fittings or well-known expressions as the Vogel-Fulcher-Tamman equation, while T-x behaviors were described with the use of a second order polynomial function of both temperature and concentration (the standard deviations do not exceed 0.04). The dynamic and structural characteristics of (fullerene-water) and (fullerenol-water) binary systems were determined by using DFT and MD methods. Finally, the study was completed with the characterization of antioxidant activity of the fullerenol.

Original languageEnglish
Pages (from-to)342-355
JournalJournal of Molecular Liquids
Volume278
DOIs
Publication statusPublished - 15 Mar 2019

Fingerprint

antioxidants
Antioxidants
Refraction
chemical properties
Chemical properties
Specific heat
refraction
specific heat
Viscosity
viscosity
Fullerenes
Water
Polynomials
water
fullerenes
polynomials
Discrete Fourier transforms
Temperature
Physical properties
dynamic characteristics

Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

@article{2ede3a7ebbf245c9a6c0d5b0c58540a3,
title = "Physico-chemical properties of C60(OH)22–24 water solutions: Density, viscosity, refraction index, isobaric heat capacity and antioxidant activity",
abstract = "This paper investigates the physico-chemical properties of several polyhydroxylated fullerene (fullerenol, C 60 (OH) 22–24 ) water solutions. The values of densities (ρ), refraction indexes (n D ), isobaric heat capacities (C p ) and viscosities (η) were experimentally determined in the temperature range 278.15–323.15 K and at fullerenol concentrations up to 40 g·dm −3 . For the highest fullerenol concentration (40 g·dm −3 ), density, viscosity and isobaric heat capacity modifications reach 4.5{\%}, 56{\%}, and 3{\%}, respectively. Either temperature, T, and concentration, x, dependences of these physical properties were described by polynomial fittings or well-known expressions as the Vogel-Fulcher-Tamman equation, while T-x behaviors were described with the use of a second order polynomial function of both temperature and concentration (the standard deviations do not exceed 0.04). The dynamic and structural characteristics of (fullerene-water) and (fullerenol-water) binary systems were determined by using DFT and MD methods. Finally, the study was completed with the characterization of antioxidant activity of the fullerenol.",
keywords = "Antioxidant activity, Aqueous solutions, Density, Fullerenol, Isobaric heat capaсity, Molecular dynamics simulation, Refraction index, Viscosity",
author = "Podolsky, {Nikita E.} and Marcos, {Marco A.} and David Cabaleiro and Semenov, {Konstantin N.} and Luis Lugo and Petrov, {Andrey V.} and Charykov, {Nikolay A.} and Sharoyko, {Vladimir V.} and Vlasov, {Timur D.} and Murin, {Igor V.}",
year = "2019",
month = "3",
day = "15",
doi = "10.1016/j.molliq.2018.12.148",
language = "English",
volume = "278",
pages = "342--355",
journal = "Journal of Molecular Liquids",
issn = "0167-7322",
publisher = "Elsevier",

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TY - JOUR

T1 - Physico-chemical properties of C60(OH)22–24 water solutions: Density, viscosity, refraction index, isobaric heat capacity and antioxidant activity

AU - Podolsky, Nikita E.

AU - Marcos, Marco A.

AU - Cabaleiro, David

AU - Semenov, Konstantin N.

AU - Lugo, Luis

AU - Petrov, Andrey V.

AU - Charykov, Nikolay A.

AU - Sharoyko, Vladimir V.

AU - Vlasov, Timur D.

AU - Murin, Igor V.

PY - 2019/3/15

Y1 - 2019/3/15

N2 - This paper investigates the physico-chemical properties of several polyhydroxylated fullerene (fullerenol, C 60 (OH) 22–24 ) water solutions. The values of densities (ρ), refraction indexes (n D ), isobaric heat capacities (C p ) and viscosities (η) were experimentally determined in the temperature range 278.15–323.15 K and at fullerenol concentrations up to 40 g·dm −3 . For the highest fullerenol concentration (40 g·dm −3 ), density, viscosity and isobaric heat capacity modifications reach 4.5%, 56%, and 3%, respectively. Either temperature, T, and concentration, x, dependences of these physical properties were described by polynomial fittings or well-known expressions as the Vogel-Fulcher-Tamman equation, while T-x behaviors were described with the use of a second order polynomial function of both temperature and concentration (the standard deviations do not exceed 0.04). The dynamic and structural characteristics of (fullerene-water) and (fullerenol-water) binary systems were determined by using DFT and MD methods. Finally, the study was completed with the characterization of antioxidant activity of the fullerenol.

AB - This paper investigates the physico-chemical properties of several polyhydroxylated fullerene (fullerenol, C 60 (OH) 22–24 ) water solutions. The values of densities (ρ), refraction indexes (n D ), isobaric heat capacities (C p ) and viscosities (η) were experimentally determined in the temperature range 278.15–323.15 K and at fullerenol concentrations up to 40 g·dm −3 . For the highest fullerenol concentration (40 g·dm −3 ), density, viscosity and isobaric heat capacity modifications reach 4.5%, 56%, and 3%, respectively. Either temperature, T, and concentration, x, dependences of these physical properties were described by polynomial fittings or well-known expressions as the Vogel-Fulcher-Tamman equation, while T-x behaviors were described with the use of a second order polynomial function of both temperature and concentration (the standard deviations do not exceed 0.04). The dynamic and structural characteristics of (fullerene-water) and (fullerenol-water) binary systems were determined by using DFT and MD methods. Finally, the study was completed with the characterization of antioxidant activity of the fullerenol.

KW - Antioxidant activity

KW - Aqueous solutions

KW - Density

KW - Fullerenol

KW - Isobaric heat capaсity

KW - Molecular dynamics simulation

KW - Refraction index

KW - Viscosity

UR - http://www.scopus.com/inward/record.url?scp=85060113915&partnerID=8YFLogxK

U2 - 10.1016/j.molliq.2018.12.148

DO - 10.1016/j.molliq.2018.12.148

M3 - Article

VL - 278

SP - 342

EP - 355

JO - Journal of Molecular Liquids

JF - Journal of Molecular Liquids

SN - 0167-7322

ER -