Simulation framework for screening of molecular solar thermal systems in the context of a hybrid device

Mia Harring Hansen; Stine T. Olsen; Kristian O. Sylvester-Hvid; Kurt V. Mikkelsen

doi:10.1016/j.chemphys.2018.10.020

Simulation framework for screening of molecular solar thermal systems in the context of a hybrid device

Mia Harring Hansen, Stine T. Olsen, Kristian O. Sylvester-Hvid, Kurt V. Mikkelsen^*

^*Corresponding author for this work

Department of Chemistry

3 Citations (Scopus)

Abstract

We present an efficient approach for estimating the construction of molecular solar thermal systems in the context of hybrid solar thermal devices. Photochromic molecules can store thermal energy by structural changes, and the storage time depends on the chosen molecular system and temperature. The simulation framework can predict thermal energy storage rates, conversion percentages, and temperature increases. The model is based on both microscopic and macroscopic properties, which all have an impact on the energy storage efficiency. The microscopic parameters include the molecular storage energies, the quantum yield for the photoisomerization, the absorption properties for the photochromic molecule, and the lifetime of the metastable molecule, hence the possible storage time. The macroscopic parameters of the hybrid device include engineering specifications like the device dimensions, device material, the solar concentration factor, the flow rate of the fluid, and the start concentration of the photochromic molecule.

Original language	English
Journal	Chemical Physics
Volume	519
Pages (from-to)	92-100
ISSN	0301-0104
DOIs	https://doi.org/10.1016/j.chemphys.2018.10.020
Publication status	Published - 1 Mar 2019

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10.1016/j.chemphys.2018.10.020

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title = "Simulation framework for screening of molecular solar thermal systems in the context of a hybrid device",

abstract = "We present an efficient approach for estimating the construction of molecular solar thermal systems in the context of hybrid solar thermal devices. Photochromic molecules can store thermal energy by structural changes, and the storage time depends on the chosen molecular system and temperature. The simulation framework can predict thermal energy storage rates, conversion percentages, and temperature increases. The model is based on both microscopic and macroscopic properties, which all have an impact on the energy storage efficiency. The microscopic parameters include the molecular storage energies, the quantum yield for the photoisomerization, the absorption properties for the photochromic molecule, and the lifetime of the metastable molecule, hence the possible storage time. The macroscopic parameters of the hybrid device include engineering specifications like the device dimensions, device material, the solar concentration factor, the flow rate of the fluid, and the start concentration of the photochromic molecule.",

author = "Hansen, {Mia Harring} and Olsen, {Stine T.} and Sylvester-Hvid, {Kristian O.} and Mikkelsen, {Kurt V.}",

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T1 - Simulation framework for screening of molecular solar thermal systems in the context of a hybrid device

AU - Hansen, Mia Harring

AU - Olsen, Stine T.

AU - Sylvester-Hvid, Kristian O.

AU - Mikkelsen, Kurt V.

PY - 2019/3/1

Y1 - 2019/3/1

N2 - We present an efficient approach for estimating the construction of molecular solar thermal systems in the context of hybrid solar thermal devices. Photochromic molecules can store thermal energy by structural changes, and the storage time depends on the chosen molecular system and temperature. The simulation framework can predict thermal energy storage rates, conversion percentages, and temperature increases. The model is based on both microscopic and macroscopic properties, which all have an impact on the energy storage efficiency. The microscopic parameters include the molecular storage energies, the quantum yield for the photoisomerization, the absorption properties for the photochromic molecule, and the lifetime of the metastable molecule, hence the possible storage time. The macroscopic parameters of the hybrid device include engineering specifications like the device dimensions, device material, the solar concentration factor, the flow rate of the fluid, and the start concentration of the photochromic molecule.

AB - We present an efficient approach for estimating the construction of molecular solar thermal systems in the context of hybrid solar thermal devices. Photochromic molecules can store thermal energy by structural changes, and the storage time depends on the chosen molecular system and temperature. The simulation framework can predict thermal energy storage rates, conversion percentages, and temperature increases. The model is based on both microscopic and macroscopic properties, which all have an impact on the energy storage efficiency. The microscopic parameters include the molecular storage energies, the quantum yield for the photoisomerization, the absorption properties for the photochromic molecule, and the lifetime of the metastable molecule, hence the possible storage time. The macroscopic parameters of the hybrid device include engineering specifications like the device dimensions, device material, the solar concentration factor, the flow rate of the fluid, and the start concentration of the photochromic molecule.

U2 - 10.1016/j.chemphys.2018.10.020

DO - 10.1016/j.chemphys.2018.10.020

M3 - Journal article

SN - 0301-0104

VL - 519

SP - 92

EP - 100

JO - Chemical Physics

JF - Chemical Physics

ER -

Simulation framework for screening of molecular solar thermal systems in the context of a hybrid device

Abstract

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