Reducing Kapitza resistance of graphene–paraffin interfaces by alkyl functionalisation

M.W. Boomstra; Bernard J. Geurts; Alexey Lyulin

doi:10.1016/j.cplett.2024.141341

Reducing Kapitza resistance of graphene–paraffin interfaces by alkyl functionalisation

M.W. Boomstra (Corresponding author)
, Bernard J. Geurts
, Alexey Lyulin

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

6 Citations (Scopus)

168 Downloads (Pure)

Abstract

Paraffin waxes are a promising material for heat storage. Improvement of the thermal conductivity can be obtained by adding graphene nanofillers, but interfacial thermal resistance (ITR) forms a problem. Reduction of ITR by functionalisation of the graphene was previously shown possible in the liquid state. For application in heat storage, the thermal properties in solid state are equally important. In the present study, the most optimal reduction of ITR in the solid state was shown for octyl functional groups; in both molten and solid samples, a striking reduction by 95% as compared to pristine graphene was achieved.

Original language	English
Article number	141341
Number of pages	6
Journal	Chemical Physics Letters
Volume	846
DOIs	https://doi.org/10.1016/j.cplett.2024.141341
Publication status	Published - Jul 2024

Funding

This study is part of the research project \u201CNanofiller-enhanced wax for heat storage (Wax+)\u201D with project number 18052 of the Open Technology Programme, which is (partly) financed by the Dutch Research Council (NWO) , Applied and Engineering Sciences (TTW) domain. This work was carried out on the Dutch national e-infrastructure with the support of SURF Cooperative. The authors would like to thank F. M\u00FCller-Plathe and N. van der Vegt for the lively discussions. Additional thanks are extended to Pablo Romero Marimon, Maurice Lever and Iris Box, whose student projects laid a basis for the present study. This study is part of the research project \u201CNanofiller-enhanced wax for heat storage (Wax+)\u201D with project number 18052 of the Open Technology Programme, which is (partly) financed by the Dutch Research Council (NWO), The Netherlands, Applied and Engineering Sciences (TTW), The Netherlands domain. This work was carried out on the Dutch national e-infrastructure with the support of SURF Cooperative.

Funders
Nederlandse Organisatie voor Wetenschappelijk Onderzoek
SURF

Keywords

Graphene nanofiller
Interfacial thermal resistance
Kapitza resistance
Molecular dynamics modelling
Nanocomposite
Paraffin wax
Phase change material

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title = "Reducing Kapitza resistance of graphene–paraffin interfaces by alkyl functionalisation",

abstract = "Paraffin waxes are a promising material for heat storage. Improvement of the thermal conductivity can be obtained by adding graphene nanofillers, but interfacial thermal resistance (ITR) forms a problem. Reduction of ITR by functionalisation of the graphene was previously shown possible in the liquid state. For application in heat storage, the thermal properties in solid state are equally important. In the present study, the most optimal reduction of ITR in the solid state was shown for octyl functional groups; in both molten and solid samples, a striking reduction by 95\% as compared to pristine graphene was achieved.",

keywords = "Graphene nanofiller, Interfacial thermal resistance, Kapitza resistance, Molecular dynamics modelling, Nanocomposite, Paraffin wax, Phase change material",

author = "M.W. Boomstra and Geurts, \{Bernard J.\} and Alexey Lyulin",

year = "2024",

month = jul,

doi = "10.1016/j.cplett.2024.141341",

language = "English",

volume = "846",

journal = "Chemical Physics Letters",

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AU - Boomstra, M.W.

AU - Geurts, Bernard J.

AU - Lyulin, Alexey

PY - 2024/7

Y1 - 2024/7

N2 - Paraffin waxes are a promising material for heat storage. Improvement of the thermal conductivity can be obtained by adding graphene nanofillers, but interfacial thermal resistance (ITR) forms a problem. Reduction of ITR by functionalisation of the graphene was previously shown possible in the liquid state. For application in heat storage, the thermal properties in solid state are equally important. In the present study, the most optimal reduction of ITR in the solid state was shown for octyl functional groups; in both molten and solid samples, a striking reduction by 95% as compared to pristine graphene was achieved.

AB - Paraffin waxes are a promising material for heat storage. Improvement of the thermal conductivity can be obtained by adding graphene nanofillers, but interfacial thermal resistance (ITR) forms a problem. Reduction of ITR by functionalisation of the graphene was previously shown possible in the liquid state. For application in heat storage, the thermal properties in solid state are equally important. In the present study, the most optimal reduction of ITR in the solid state was shown for octyl functional groups; in both molten and solid samples, a striking reduction by 95% as compared to pristine graphene was achieved.

KW - Graphene nanofiller

KW - Interfacial thermal resistance

KW - Kapitza resistance

KW - Molecular dynamics modelling

KW - Nanocomposite

KW - Paraffin wax

KW - Phase change material

UR - https://www.scopus.com/pages/publications/85193501019

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DO - 10.1016/j.cplett.2024.141341

M3 - Article

SN - 0009-2614

VL - 846

JO - Chemical Physics Letters

JF - Chemical Physics Letters

M1 - 141341

ER -

Reducing Kapitza resistance of graphene–paraffin interfaces by alkyl functionalisation

Abstract

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Keywords

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