The effects of solvation on the back reaction and storage capabilities of solar thermal energy storage systems
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The effects of solvation on the back reaction and storage capabilities of solar thermal energy storage systems. / Kjeldsen, Ida Lützen Hoff; Høvring, Julie Franck; Von Buchwald, Theo Juncker; Hillers-bendtsen, Andreas Erbs; Mikkelsen, Kurt V.
In: Physical Chemistry Chemical Physics, Vol. 24, No. 9, 2022, p. 5564–5577.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - The effects of solvation on the back reaction and storage capabilities of solar thermal energy storage systems
AU - Kjeldsen, Ida Lützen Hoff
AU - Høvring, Julie Franck
AU - Von Buchwald, Theo Juncker
AU - Hillers-bendtsen, Andreas Erbs
AU - Mikkelsen, Kurt V.
PY - 2022
Y1 - 2022
N2 - Solvent effects on molecular solar thermal energy storage systems have been investigated using density functional theory combined with solvent models describing the effects of viscosities and dielectric constants on chemical reaction rates. We have addressed the following issues concerning how solvents influence both the thermochemical properties and the thermal relaxation kinetics of the studied systems, how the friction of the solvent influences the recrossing of the reactions along with the dynamics and force constants of the transition state. We observe that the rate constants for the chemical reactions of the molecular solar thermal energy storage systems depend strongly on the dielectric solvent properties and the viscosities of the solvents.
AB - Solvent effects on molecular solar thermal energy storage systems have been investigated using density functional theory combined with solvent models describing the effects of viscosities and dielectric constants on chemical reaction rates. We have addressed the following issues concerning how solvents influence both the thermochemical properties and the thermal relaxation kinetics of the studied systems, how the friction of the solvent influences the recrossing of the reactions along with the dynamics and force constants of the transition state. We observe that the rate constants for the chemical reactions of the molecular solar thermal energy storage systems depend strongly on the dielectric solvent properties and the viscosities of the solvents.
U2 - 10.1039/D2CP00401A
DO - 10.1039/D2CP00401A
M3 - Journal article
VL - 24
SP - 5564
EP - 5577
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 9
ER -
ID: 298471491